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

C16H21N5OS — CID 1155057

IUPACN-cyclopentyl-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCn1c(SCC(=O)NC2CCCC2)nnc1-c1cccnc1
InChIInChI=1S/C16H21N5OS/c1-2-21-15(12-6-5-9-17-10-12)19-20-16(21)23-11-14(22)18-13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,18,22)
InChIKeyUXAWEDQOIQROSP-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.51
Rot. Bonds6

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

N-cyclopentyl-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 1155057) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID1155057
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC NameN-cyclopentyl-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCn1c(SCC(=O)NC2CCCC2)nnc1-c1cccnc1
InChIInChI=1S/C16H21N5OS/c1-2-21-15(12-6-5-9-17-10-12)19-20-16(21)23-11-14(22)18-13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,18,22)
InChIKeyUXAWEDQOIQROSP-UHFFFAOYSA-N
XLogP2.51
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.51
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-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 1155057) is N-cyclopentyl-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCn1c(SCC(=O)NC2CCCC2)nnc1-c1cccnc1.
What is the InChIKey of N-cyclopentyl-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is UXAWEDQOIQROSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-2-21-15(12-6-5-9-17-10-12)19-20-16(21)23-11-14(22)18-13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,18,22).
What are the key properties of N-cyclopentyl-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-cyclopentyl-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 331.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 1155057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).