(5-Amino-2,2-dimethyl-1,3,4-thiadiazol-3(2H)-yl)(4-methylphenyl)methanone
TL;DR: (5-Amino-2,2-dimethyl-1,3,4-thiadiazol-3(2H)-yl)(4-methylphenyl)methanone (CAS 588676-16-8) is a chemical compound with molecular formula C12H15N3OS and molecular weight 249.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-amino-2,2-dimethyl-1,3,4-thiadiazol-3-yl)-(4-methylphenyl)methanone
Also Known As: (5-amino-2,2-dimethyl-1,3,4-thiadiazol-3(2H)-yl)(4-methylphenyl)methanone, (5-amino-2,2-dimethyl-1,3,4-thiadiazol-3-yl)-(4-methylphenyl)methanone, 5,5-dimethyl-4-(4-methylbenzoyl)-4,5-dihydro-1,3,4-thiadiazol-2-amine, 5-amino-2,2-dimethyl(1,3,4-thiadiazolin-3-yl) 4-methylphenyl ketone, [5-AMINO-2,2-DIMETHYL-1,3,4-THIADIAZOL-3(2H)-YL](4-METHYLPHENYL)METHANONE
| Molecular Formula | C12H15N3OS |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 2.14982 |
| Topological Polar Surface Area | 58.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.09358 |
| Heavy Atoms | 17 |
| Complexity | 479.02905 |
Chemical Identifiers
| CAS Number | 588676-16-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2C(SC(=N2)N)(C)C |
Product Overview
(5-Amino-2,2-dimethyl-1,3,4-thiadiazol-3(2H)-yl)(4-methylphenyl)methanone (CAS 588676-16-8), with molecular formula C12H15N3OS and molecular weight 249.09 g/mol. IUPAC: (5-amino-2,2-dimethyl-1,3,4-thiadiazol-3-yl)-(4-methylphenyl)methanone.
Chemical Property Profile of (5-Amino-2,2-dimethyl-1,3,4-thiadiazol-3(2H)-yl)(4-methylphenyl)methanone
Property Insights of (5-Amino-2,2-dimethyl-1,3,4-thiadiazol-3(2H)-yl)(4-methylphenyl)methanone
The XLogP value of 2.14982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Amino-2,2-dimethyl-1,3,4-thiadiazol-3(2H)-yl)(4-methylphenyl)methanone. With a topological polar surface area (TPSA) of 58.69 Ų, (5-Amino-2,2-dimethyl-1,3,4-thiadiazol-3(2H)-yl)(4-methylphenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Amino-2,2-dimethyl-1,3,4-thiadiazol-3(2H)-yl)(4-methylphenyl)methanone has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5-Amino-2,2-dimethyl-1,3,4-thiadiazol-3(2H)-yl)(4-methylphenyl)methanone?
The CAS number of (5-Amino-2,2-dimethyl-1,3,4-thiadiazol-3(2H)-yl)(4-methylphenyl)methanone is 588676-16-8.
What is the molecular formula of (5-Amino-2,2-dimethyl-1,3,4-thiadiazol-3(2H)-yl)(4-methylphenyl)methanone?
The molecular formula of (5-Amino-2,2-dimethyl-1,3,4-thiadiazol-3(2H)-yl)(4-methylphenyl)methanone is C12H15N3OS.
What is the molecular weight of (5-Amino-2,2-dimethyl-1,3,4-thiadiazol-3(2H)-yl)(4-methylphenyl)methanone?
The molecular weight of (5-Amino-2,2-dimethyl-1,3,4-thiadiazol-3(2H)-yl)(4-methylphenyl)methanone is 249.09 g/mol.
Where can I buy (5-Amino-2,2-dimethyl-1,3,4-thiadiazol-3(2H)-yl)(4-methylphenyl)methanone?
You can request a quote for (5-Amino-2,2-dimethyl-1,3,4-thiadiazol-3(2H)-yl)(4-methylphenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Amino-2,2-dimethyl-1,3,4-thiadiazol-3(2H)-yl)(4-methylphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (5-Amino-2,2-dimethyl-1,3,4-thiadiazol-3(2H)-yl)(4-methylphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.