2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N,N-dicyclohexylacetamide

C16H27N5OS — CID 859358

IUPAC2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N,N-dicyclohexylacetamide
SMILESNn1cnnc1SCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H27N5OS/c17-20-12-18-19-16(20)23-11-15(22)21(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h12-14H,1-11,17H2
InChIKeyGEYCOTKXBUTNQD-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.58
Rot. Bonds5

About 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N,N-dicyclohexylacetamide

2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N,N-dicyclohexylacetamide (PubChem CID 859358) has the molecular formula C16H27N5OS and a molecular weight of 337.49 g/mol. Its IUPAC name is 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N,N-dicyclohexylacetamide.

Molecular Properties

Compound Name2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N,N-dicyclohexylacetamide
PubChem CID859358
Molecular FormulaC16H27N5OS
Molecular Weight337.49 g/mol
Exact Mass337.19
IUPAC Name2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N,N-dicyclohexylacetamide
SMILESNn1cnnc1SCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H27N5OS/c17-20-12-18-19-16(20)23-11-15(22)21(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h12-14H,1-11,17H2
InChIKeyGEYCOTKXBUTNQD-UHFFFAOYSA-N
XLogP2.58
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-phenylacetamide
CID 7977553
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
CID 7571638
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 7978048
N,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
CID 3870642
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dicyclohexylacetamide
CID 29338300
3-cyclohexylsulfanyl-1,2,4-triazol-4-amine
CID 130626697
N,N-dicyclohexyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
CID 2403936
2-(3-aminophenyl)sulfanyl-N,N-dicyclohexylacetamide
CID 18894930
2-[2-(dicyclohexylamino)-2-oxoethyl]sulfanylacetic acid
CID 115569413
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 7977956
N,N-dicyclohexyl-2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]sulfanylacetamide
CID 1175723
4-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-3-methylbut-2-enoic acid
CID 77005693

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N,N-dicyclohexylacetamide?
The IUPAC name of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N,N-dicyclohexylacetamide (CID 859358) is 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N,N-dicyclohexylacetamide.
What is the SMILES notation for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N,N-dicyclohexylacetamide?
The canonical SMILES for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N,N-dicyclohexylacetamide is Nn1cnnc1SCC(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N,N-dicyclohexylacetamide?
The InChIKey is GEYCOTKXBUTNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5OS/c17-20-12-18-19-16(20)23-11-15(22)21(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h12-14H,1-11,17H2.
What are the key properties of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N,N-dicyclohexylacetamide?
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N,N-dicyclohexylacetamide has a molecular weight of 337.49 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 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,N-dicyclohexylacetamide is sourced from PubChem (CID 859358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).