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

C15H19N5OS — CID 1154997

IUPACN-cyclopentyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccncc1
InChIInChI=1S/C15H19N5OS/c1-20-14(11-6-8-16-9-7-11)18-19-15(20)22-10-13(21)17-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,17,21)
InChIKeyXEJFNPYDSYFLBV-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.03
Rot. Bonds5

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

N-cyclopentyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 1154997) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID1154997
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC NameN-cyclopentyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccncc1
InChIInChI=1S/C15H19N5OS/c1-20-14(11-6-8-16-9-7-11)18-19-15(20)22-10-13(21)17-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,17,21)
InChIKeyXEJFNPYDSYFLBV-UHFFFAOYSA-N
XLogP2.03
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 1154997) is N-cyclopentyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cn1c(SCC(=O)NC2CCCC2)nnc1-c1ccncc1.
What is the InChIKey of N-cyclopentyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is XEJFNPYDSYFLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-20-14(11-6-8-16-9-7-11)18-19-15(20)22-10-13(21)17-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,17,21).
What are the key properties of N-cyclopentyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-cyclopentyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 317.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 1154997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).