2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide

C11H19N5OS — CID 859352

IUPAC2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)CSc1nncn1N
InChIInChI=1S/C11H19N5OS/c1-8-4-2-3-5-9(8)14-10(17)6-18-11-15-13-7-16(11)12/h7-9H,2-6,12H2,1H3,(H,14,17)/t8-,9+/m0/s1
InChIKeyFJFMZKGUJAZDCT-DTWKUNHWSA-N
MW269.37 g/mol
LogP0.78
Rot. Bonds4

About 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide

2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide (PubChem CID 859352) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
PubChem CID859352
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)CSc1nncn1N
InChIInChI=1S/C11H19N5OS/c1-8-4-2-3-5-9(8)14-10(17)6-18-11-15-13-7-16(11)12/h7-9H,2-6,12H2,1H3,(H,14,17)/t8-,9+/m0/s1
InChIKeyFJFMZKGUJAZDCT-DTWKUNHWSA-N
XLogP0.78
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide with MolForge

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Related Compounds

N-cycloheptyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2352744
N-(4-methylcyclohexyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16329958
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 4415417
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
N-(2-methylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 3314638
N-(4-methylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 16305128
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)propanamide
CID 24818215
N-(2,3-dimethylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2999200
N-bicyclo[2.2.1]hept-2-yl-2-(4H-1,2,4-triazol-3-ylthio)acetamide
CID 2978005
N-cyclohexyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 709291
N-(2,3-dimethylcyclohexyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 16264419

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide (CID 859352) is 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide is C[C@H]1CCCC[C@H]1NC(=O)CSc1nncn1N.
What is the InChIKey of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The InChIKey is FJFMZKGUJAZDCT-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-8-4-2-3-5-9(8)14-10(17)6-18-11-15-13-7-16(11)12/h7-9H,2-6,12H2,1H3,(H,14,17)/t8-,9+/m0/s1.
What are the key properties of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide has a molecular weight of 269.37 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 859352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).