2-(imidazol-1-ylmethyl)-1,3-thiazole-5-carboxylic acid

C8H7N3O2S — CID 131142423

IUPAC2-(imidazol-1-ylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Cn2ccnc2)s1
InChIInChI=1S/C8H7N3O2S/c12-8(13)6-3-10-7(14-6)4-11-2-1-9-5-11/h1-3,5H,4H2,(H,12,13)
InChIKeyLNANXDNALXWWCM-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.09
Rot. Bonds3

About 2-(imidazol-1-ylmethyl)-1,3-thiazole-5-carboxylic acid

2-(imidazol-1-ylmethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 131142423) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 2-(imidazol-1-ylmethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(imidazol-1-ylmethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID131142423
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name2-(imidazol-1-ylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Cn2ccnc2)s1
InChIInChI=1S/C8H7N3O2S/c12-8(13)6-3-10-7(14-6)4-11-2-1-9-5-11/h1-3,5H,4H2,(H,12,13)
InChIKeyLNANXDNALXWWCM-UHFFFAOYSA-N
XLogP1.09
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(imidazol-1-ylmethyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-(imidazol-1-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(imidazol-1-ylmethyl)-1,3-thiazole-5-carboxylic acid (CID 131142423) is 2-(imidazol-1-ylmethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(imidazol-1-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(imidazol-1-ylmethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(Cn2ccnc2)s1.
What is the InChIKey of 2-(imidazol-1-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is LNANXDNALXWWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c12-8(13)6-3-10-7(14-6)4-11-2-1-9-5-11/h1-3,5H,4H2,(H,12,13).
What are the key properties of 2-(imidazol-1-ylmethyl)-1,3-thiazole-5-carboxylic acid?
2-(imidazol-1-ylmethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 209.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazol-1-ylmethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 131142423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).