2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid

C12H13N5O2S — CID 80567945

IUPAC2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C12H13N5O2S/c18-10(19)9-8-20-12(15-9)17-6-4-16(5-7-17)11-13-2-1-3-14-11/h1-3,8H,4-7H2,(H,18,19)
InChIKeyPACJBXACARYJOZ-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.96
Rot. Bonds3

About 2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid

2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 80567945) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID80567945
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC Name2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C12H13N5O2S/c18-10(19)9-8-20-12(15-9)17-6-4-16(5-7-17)11-13-2-1-3-14-11/h1-3,8H,4-7H2,(H,18,19)
InChIKeyPACJBXACARYJOZ-UHFFFAOYSA-N
XLogP0.96
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 39159913
4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 31981427
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-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 80568894
2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 80567491
1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone
CID 64544015
2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 53200928
[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
CID 118778045
2-(3-oxo-1,4-diazepan-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568485
2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
CID 131092459
N,N-dimethyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 53160987

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid (CID 80567945) is 2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is PACJBXACARYJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c18-10(19)9-8-20-12(15-9)17-6-4-16(5-7-17)11-13-2-1-3-14-11/h1-3,8H,4-7H2,(H,18,19).
What are the key properties of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid?
2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 291.34 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 80567945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).