2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-1,3-thiazole-4-carboxamide

C19H23ClN4OS — CID 53161124

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCC1)c1csc(N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C19H23ClN4OS/c20-14-4-3-7-16(12-14)23-8-10-24(11-9-23)19-22-17(13-26-19)18(25)21-15-5-1-2-6-15/h3-4,7,12-13,15H,1-2,5-6,8-11H2,(H,21,25)
InChIKeyJVQUDDBOYFAMIO-UHFFFAOYSA-N
MW390.94 g/mol
LogP3.80
Rot. Bonds4

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-1,3-thiazole-4-carboxamide

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-1,3-thiazole-4-carboxamide (PubChem CID 53161124) has the molecular formula C19H23ClN4OS and a molecular weight of 390.94 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-1,3-thiazole-4-carboxamide
PubChem CID53161124
Molecular FormulaC19H23ClN4OS
Molecular Weight390.94 g/mol
Exact Mass390.13
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCC1)c1csc(N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C19H23ClN4OS/c20-14-4-3-7-16(12-14)23-8-10-24(11-9-23)19-22-17(13-26-19)18(25)21-15-5-1-2-6-15/h3-4,7,12-13,15H,1-2,5-6,8-11H2,(H,21,25)
InChIKeyJVQUDDBOYFAMIO-UHFFFAOYSA-N
XLogP3.80
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-1,3-thiazole-4-carboxamide (CID 53161124) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-1,3-thiazole-4-carboxamide is O=C(NC1CCCC1)c1csc(N2CCN(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-1,3-thiazole-4-carboxamide?
The InChIKey is JVQUDDBOYFAMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4OS/c20-14-4-3-7-16(12-14)23-8-10-24(11-9-23)19-22-17(13-26-19)18(25)21-15-5-1-2-6-15/h3-4,7,12-13,15H,1-2,5-6,8-11H2,(H,21,25).
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-1,3-thiazole-4-carboxamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-1,3-thiazole-4-carboxamide has a molecular weight of 390.94 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopentyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53161124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).