N-[(2S)-3-methylbutan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C10H18N4OS — CID 9378485

IUPACN-[(2S)-3-methylbutan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)[C@H](C)NC(=O)CSc1nncn1C
InChIInChI=1S/C10H18N4OS/c1-7(2)8(3)12-9(15)5-16-10-13-11-6-14(10)4/h6-8H,5H2,1-4H3,(H,12,15)/t8-/m0/s1
InChIKeyADGZNZXQNHVASZ-QMMMGPOBSA-N
MW242.35 g/mol
LogP1.07
Rot. Bonds5

About N-[(2S)-3-methylbutan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[(2S)-3-methylbutan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 9378485) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is N-[(2S)-3-methylbutan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-methylbutan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID9378485
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC NameN-[(2S)-3-methylbutan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)[C@H](C)NC(=O)CSc1nncn1C
InChIInChI=1S/C10H18N4OS/c1-7(2)8(3)12-9(15)5-16-10-13-11-6-14(10)4/h6-8H,5H2,1-4H3,(H,12,15)/t8-/m0/s1
InChIKeyADGZNZXQNHVASZ-QMMMGPOBSA-N
XLogP1.07
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-3-methylbutan-2-yl]-2-[(4-methyl-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

N-cycloheptyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2352744
N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2374457
N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6464817
N-(4-methylcyclohexyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16329958
N-cyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 855555
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide
CID 3188532
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 3903717
N-(2-cyano-3-methylbutan-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16260516
N,N-diisobutyl-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
CID 1282457
2-(4-Methyl-4H-(1,2,4)triazol-3-ylsulfanyl)-N-tetradecyl-acetamide
CID 2802553
N-carbamoyl-3-methyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 16264678
2-((5-Amino-4-methyl-4h-1,2,4-triazol-3-yl)thio)-N-(pentan-3-yl)acetamide
CID 40043535

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methylbutan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[(2S)-3-methylbutan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 9378485) is N-[(2S)-3-methylbutan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(2S)-3-methylbutan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(2S)-3-methylbutan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CC(C)[C@H](C)NC(=O)CSc1nncn1C.
What is the InChIKey of N-[(2S)-3-methylbutan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is ADGZNZXQNHVASZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-7(2)8(3)12-9(15)5-16-10-13-11-6-14(10)4/h6-8H,5H2,1-4H3,(H,12,15)/t8-/m0/s1.
What are the key properties of N-[(2S)-3-methylbutan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[(2S)-3-methylbutan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 242.35 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methylbutan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 9378485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).