2-(benzylamino)-1,3-thiazole-5-carboxylic acid

C11H10N2O2S — CID 2779647

IUPAC2-(benzylamino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(NCc2ccccc2)s1
InChIInChI=1S/C11H10N2O2S/c14-10(15)9-7-13-11(16-9)12-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13)(H,14,15)
InChIKeyREVWBJBCAIBQGE-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.45
Rot. Bonds4

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

2-(benzylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 2779647) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-(benzylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(benzylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID2779647
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2-(benzylamino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(NCc2ccccc2)s1
InChIInChI=1S/C11H10N2O2S/c14-10(15)9-7-13-11(16-9)12-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13)(H,14,15)
InChIKeyREVWBJBCAIBQGE-UHFFFAOYSA-N
XLogP2.45
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(benzylamino)-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

2-Phenyl-1,3-thiazole-5-carboxylic acid
CID 139087
2-[Benzyl(methyl)amino]-1,3-thiazole-5-carbaldehyde
CID 3282515
2-(Phenylamino)-1,3-thiazole-5-carboxylic acid
CID 11535888
2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic Acid
CID 1132751
Ethyl 2-(benzylamino)-1,3-thiazole-5-carboxylate
CID 2779643
2-[Methyl(phenyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62752766
2-[(4-Fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 62754337
2-[(2,5-Difluorophenyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 80571461
Methyl 2-[(4-fluorophenyl)methylamino]-1,3-thiazole-5-carboxylate
CID 80571968
2-[(2-Fluorophenyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 80572242
2-amino-N-[(2-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide
CID 82171909
2-amino-N-(4-fluorobenzyl)thiazole-5-carboxamide
CID 82171924

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(benzylamino)-1,3-thiazole-5-carboxylic acid (CID 2779647) is 2-(benzylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(benzylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(benzylamino)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(NCc2ccccc2)s1.
What is the InChIKey of 2-(benzylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is REVWBJBCAIBQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c14-10(15)9-7-13-11(16-9)12-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13)(H,14,15).
What are the key properties of 2-(benzylamino)-1,3-thiazole-5-carboxylic acid?
2-(benzylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 2779647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).