N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide

C16H19N3OS — CID 84508081

IUPACN-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide
SMILESO=C(NCCc1csc(-c2ccccn2)n1)C1CCCC1
InChIInChI=1S/C16H19N3OS/c20-15(12-5-1-2-6-12)18-10-8-13-11-21-16(19-13)14-7-3-4-9-17-14/h3-4,7,9,11-12H,1-2,5-6,8,10H2,(H,18,20)
InChIKeyFBVOLWHEECHWIT-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.05
Rot. Bonds5

About N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide

N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide (PubChem CID 84508081) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide
PubChem CID84508081
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC NameN-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide
SMILESO=C(NCCc1csc(-c2ccccn2)n1)C1CCCC1
InChIInChI=1S/C16H19N3OS/c20-15(12-5-1-2-6-12)18-10-8-13-11-21-16(19-13)14-7-3-4-9-17-14/h3-4,7,9,11-12H,1-2,5-6,8,10H2,(H,18,20)
InChIKeyFBVOLWHEECHWIT-UHFFFAOYSA-N
XLogP3.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide (CID 84508081) is N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide is O=C(NCCc1csc(-c2ccccn2)n1)C1CCCC1.
What is the InChIKey of N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide?
The InChIKey is FBVOLWHEECHWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-15(12-5-1-2-6-12)18-10-8-13-11-21-16(19-13)14-7-3-4-9-17-14/h3-4,7,9,11-12H,1-2,5-6,8,10H2,(H,18,20).
What are the key properties of N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide?
N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide has a molecular weight of 301.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 84508081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).