N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C13H12N6OS2 — CID 889220

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nnc(NC(=O)CSc2ncn(-c3ccccc3)n2)s1
InChIInChI=1S/C13H12N6OS2/c1-9-16-17-13(22-9)15-11(20)7-21-12-14-8-19(18-12)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,15,17,20)
InChIKeyLWRHKOVNEBHKAQ-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.16
Rot. Bonds5

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 889220) has the molecular formula C13H12N6OS2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID889220
Molecular FormulaC13H12N6OS2
Molecular Weight332.41 g/mol
Exact Mass332.05
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nnc(NC(=O)CSc2ncn(-c3ccccc3)n2)s1
InChIInChI=1S/C13H12N6OS2/c1-9-16-17-13(22-9)15-11(20)7-21-12-14-8-19(18-12)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,15,17,20)
InChIKeyLWRHKOVNEBHKAQ-UHFFFAOYSA-N
XLogP2.16
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-((1-(4-fluorophenyl)-1H-imidazol-2-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 4170205
2-[(1-phenyl-1H-1,2,4-triazol-3-yl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2940142
2-[(5-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 6497759
2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 890459
2-[[4-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1451212
2-[(4-ethyl-5-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 6497764
2-({4-ethyl-5-[2-oxo-2-(phenylamino)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 6497776
2-[(4-ethyl-5-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 6497855
N-(5-methyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9549087
N-(4-Methyl-thiazol-2-yl)-2-(1-phenyl-1H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 972808
2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 977368
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 3240758

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 889220) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cc1nnc(NC(=O)CSc2ncn(-c3ccccc3)n2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is LWRHKOVNEBHKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS2/c1-9-16-17-13(22-9)15-11(20)7-21-12-14-8-19(18-12)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,15,17,20).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 332.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 889220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).