N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylsulfanylacetamide

C8H14N4OS — CID 78928156

IUPACN-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylsulfanylacetamide
SMILESCc1nc(NC(=O)CSC(C)C)n[nH]1
InChIInChI=1S/C8H14N4OS/c1-5(2)14-4-7(13)10-8-9-6(3)11-12-8/h5H,4H2,1-3H3,(H2,9,10,11,12,13)
InChIKeyCFXMJKTWNSFCDL-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.19
Rot. Bonds4

About N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylsulfanylacetamide

N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylsulfanylacetamide (PubChem CID 78928156) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylsulfanylacetamide
PubChem CID78928156
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylsulfanylacetamide
SMILESCc1nc(NC(=O)CSC(C)C)n[nH]1
InChIInChI=1S/C8H14N4OS/c1-5(2)14-4-7(13)10-8-9-6(3)11-12-8/h5H,4H2,1-3H3,(H2,9,10,11,12,13)
InChIKeyCFXMJKTWNSFCDL-UHFFFAOYSA-N
XLogP1.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylsulfanylacetamide 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-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927542
2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
CID 78928166
2,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
CID 78958095
2-ethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927633
2-[(4-fluorophenyl)methylsulfanyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927587
2-[(4-chlorophenyl)methylsulfanyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927698
2-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927996
N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-oxo-3-phenylpropanamide
CID 110473163
2-(4-aminophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 110472728
3-(4-fluorophenyl)sulfanyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
CID 78927661
ethyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-2-oxoacetate
CID 110471089
2-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzoic acid
CID 113431532

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylsulfanylacetamide (CID 78928156) is N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylsulfanylacetamide is Cc1nc(NC(=O)CSC(C)C)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylsulfanylacetamide?
The InChIKey is CFXMJKTWNSFCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-5(2)14-4-7(13)10-8-9-6(3)11-12-8/h5H,4H2,1-3H3,(H2,9,10,11,12,13).
What are the key properties of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylsulfanylacetamide?
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylsulfanylacetamide has a molecular weight of 214.29 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 78928156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).