2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid

C14H14ClN3O2S — CID 80567491

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(N2CCN(c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C14H14ClN3O2S/c15-10-1-3-11(4-2-10)17-5-7-18(8-6-17)14-16-12(9-21-14)13(19)20/h1-4,9H,5-8H2,(H,19,20)
InChIKeyQZEYMGVJIRDPOP-UHFFFAOYSA-N
MW323.81 g/mol
LogP2.82
Rot. Bonds3

About 2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid

2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 80567491) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID80567491
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(N2CCN(c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C14H14ClN3O2S/c15-10-1-3-11(4-2-10)17-5-7-18(8-6-17)14-16-12(9-21-14)13(19)20/h1-4,9H,5-8H2,(H,19,20)
InChIKeyQZEYMGVJIRDPOP-UHFFFAOYSA-N
XLogP2.82
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 53161116
ethyl 2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylate
CID 122476822
N-[(4-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 53161103
2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 80568894
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 53200939
N,N-dimethyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 53160987
2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80567945
2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568443
2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568075
[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
CID 118778045
[2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 53161120
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120641393

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid (CID 80567491) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(N2CCN(c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is QZEYMGVJIRDPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c15-10-1-3-11(4-2-10)17-5-7-18(8-6-17)14-16-12(9-21-14)13(19)20/h1-4,9H,5-8H2,(H,19,20).
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid?
2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 323.81 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 80567491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).