2-(4-chlorophenyl)-N-cyclopentyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide

C20H18ClN3OS — CID 99699300

IUPAC2-(4-chlorophenyl)-N-cyclopentyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(-c2ccc(Cl)cc2)n1)N(c1ccccn1)C1CCCC1
InChIInChI=1S/C20H18ClN3OS/c21-15-10-8-14(9-11-15)19-23-17(13-26-19)20(25)24(16-5-1-2-6-16)18-7-3-4-12-22-18/h3-4,7-13,16H,1-2,5-6H2
InChIKeyOBZZUITUWUBATC-UHFFFAOYSA-N
MW383.90 g/mol
LogP5.45
Rot. Bonds4

About 2-(4-chlorophenyl)-N-cyclopentyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide

2-(4-chlorophenyl)-N-cyclopentyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 99699300) has the molecular formula C20H18ClN3OS and a molecular weight of 383.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-cyclopentyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-cyclopentyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID99699300
Molecular FormulaC20H18ClN3OS
Molecular Weight383.90 g/mol
Exact Mass383.09
IUPAC Name2-(4-chlorophenyl)-N-cyclopentyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(-c2ccc(Cl)cc2)n1)N(c1ccccn1)C1CCCC1
InChIInChI=1S/C20H18ClN3OS/c21-15-10-8-14(9-11-15)19-23-17(13-26-19)20(25)24(16-5-1-2-6-16)18-7-3-4-12-22-18/h3-4,7-13,16H,1-2,5-6H2
InChIKeyOBZZUITUWUBATC-UHFFFAOYSA-N
XLogP5.45
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.90
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-cyclopentyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-cyclopentyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide (CID 99699300) is 2-(4-chlorophenyl)-N-cyclopentyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-cyclopentyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-cyclopentyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide is O=C(c1csc(-c2ccc(Cl)cc2)n1)N(c1ccccn1)C1CCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-cyclopentyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is OBZZUITUWUBATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3OS/c21-15-10-8-14(9-11-15)19-23-17(13-26-19)20(25)24(16-5-1-2-6-16)18-7-3-4-12-22-18/h3-4,7-13,16H,1-2,5-6H2.
What are the key properties of 2-(4-chlorophenyl)-N-cyclopentyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide?
2-(4-chlorophenyl)-N-cyclopentyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 383.90 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-cyclopentyl-N-pyridin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 99699300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).