2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid

C8H5N3O2S — CID 43622195

IUPAC2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ncccn2)s1
InChIInChI=1S/C8H5N3O2S/c12-8(13)5-4-11-7(14-5)6-9-2-1-3-10-6/h1-4H,(H,12,13)
InChIKeyLRXDMOYYUDZFCC-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.30
Rot. Bonds2

About 2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid

2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 43622195) has the molecular formula C8H5N3O2S and a molecular weight of 207.21 g/mol. Its IUPAC name is 2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID43622195
Molecular FormulaC8H5N3O2S
Molecular Weight207.21 g/mol
Exact Mass207.01
IUPAC Name2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ncccn2)s1
InChIInChI=1S/C8H5N3O2S/c12-8(13)5-4-11-7(14-5)6-9-2-1-3-10-6/h1-4H,(H,12,13)
InChIKeyLRXDMOYYUDZFCC-UHFFFAOYSA-N
XLogP1.30
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-pyrimidin-2-yl-1,3-thiazole-5-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

4-Methyl-2-(2-pyrimidinyl)-5-thiazolecarboxylic acid
CID 43622194
2-Pyrimidin-2-yl-4-trifluoromethyl-thiazole-5-carboxylic acid
CID 59580006
4-{Methyl[(2-methyl-1,3-thiazol-4-YL)methyl]amino}pyrimidine-5-carboxylic acid
CID 72908054
3-Fluoro-1-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258799
2-[(5-Fluoropyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 168032058
2-(Pyrimidin-2-yl)-1,3-thiazole-4-carboxylic acid
CID 37134683
2-(6-Bromo-2-methylpyrimidin-4-ylamino)thiazole-5-formic acid
CID 49821884
2-[(6-Iodo-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 49821885
2-(4-Pyrimidinyl)-5-thiazolecarboxylic acid
CID 57688382
Methyl 2-(2-pyrimidinyl)-5-thiazolecarboxylate
CID 57688429
2-(Pyrimidin-2-yl)-1,3-thiazole-5-carbaldehyde
CID 58504018
2-((6-Chloro-2-methylpyrimidin-4-yl)amino)thiazole-5-carboxylic acid
CID 66553225

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid (CID 43622195) is 2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(-c2ncccn2)s1.
What is the InChIKey of 2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is LRXDMOYYUDZFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O2S/c12-8(13)5-4-11-7(14-5)6-9-2-1-3-10-6/h1-4H,(H,12,13).
What are the key properties of 2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid?
2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 207.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 43622195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).