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

C17H21N5OS — CID 6471072

IUPACN-cyclopentyl-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESC=CCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccccn1
InChIInChI=1S/C17H21N5OS/c1-2-11-22-16(14-9-5-6-10-18-14)20-21-17(22)24-12-15(23)19-13-7-3-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,19,23)
InChIKeyHTYJRMWLPBKDQP-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.68
Rot. Bonds7

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

N-cyclopentyl-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 6471072) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID6471072
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC NameN-cyclopentyl-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESC=CCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccccn1
InChIInChI=1S/C17H21N5OS/c1-2-11-22-16(14-9-5-6-10-18-14)20-21-17(22)24-12-15(23)19-13-7-3-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,19,23)
InChIKeyHTYJRMWLPBKDQP-UHFFFAOYSA-N
XLogP2.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 6471072) is N-cyclopentyl-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is C=CCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccccn1.
What is the InChIKey of N-cyclopentyl-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is HTYJRMWLPBKDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-2-11-22-16(14-9-5-6-10-18-14)20-21-17(22)24-12-15(23)19-13-7-3-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,19,23).
What are the key properties of N-cyclopentyl-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-cyclopentyl-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 343.46 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 6471072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).