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

C14H19N5OS — CID 7566375

IUPACN-cyclopentyl-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NC2CCCC2)n1-n1cccc1
InChIInChI=1S/C14H19N5OS/c1-11-16-17-14(19(11)18-8-4-5-9-18)21-10-13(20)15-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,15,20)
InChIKeyKIANSSIZQRHYGY-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.85
Rot. Bonds5

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

N-cyclopentyl-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 7566375) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-cyclopentyl-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID7566375
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN-cyclopentyl-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NC2CCCC2)n1-n1cccc1
InChIInChI=1S/C14H19N5OS/c1-11-16-17-14(19(11)18-8-4-5-9-18)21-10-13(20)15-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,15,20)
InChIKeyKIANSSIZQRHYGY-UHFFFAOYSA-N
XLogP1.85
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-2-[[5-(4-methylphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7566491
N-cycloheptyl-2-[[5-(3-methoxyphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7519542
N-cycloheptyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 977665
N-cyclooctyl-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4265490
N-cyclohexyl-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6466121
N-cyclopropyl-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9377646
2-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide
CID 55206580
N-cyclopentyl-2-[[5-methyl-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 51686403
N-cyclopentyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6466056
N-cyclopentyl-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 1452223
N-cyclopentyl-2-[(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6469328
N-cyclopentyl-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
CID 1086643

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 7566375) is N-cyclopentyl-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)NC2CCCC2)n1-n1cccc1.
What is the InChIKey of N-cyclopentyl-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is KIANSSIZQRHYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-11-16-17-14(19(11)18-8-4-5-9-18)21-10-13(20)15-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,15,20).
What are the key properties of N-cyclopentyl-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-cyclopentyl-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 305.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 7566375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).