2-[5-(4-methylphenyl)imidazol-1-yl]-4-phenyl-1,3-thiazole-5-carboxylic acid

C20H15N3O2S — CID 174578106

IUPAC2-[5-(4-methylphenyl)imidazol-1-yl]-4-phenyl-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(-c2cncn2-c2nc(-c3ccccc3)c(C(=O)O)s2)cc1
InChIInChI=1S/C20H15N3O2S/c1-13-7-9-14(10-8-13)16-11-21-12-23(16)20-22-17(18(26-20)19(24)25)15-5-3-2-4-6-15/h2-12H,1H3,(H,24,25)
InChIKeyMVFIBMAPLVRBBX-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.67
Rot. Bonds4

About 2-[5-(4-methylphenyl)imidazol-1-yl]-4-phenyl-1,3-thiazole-5-carboxylic acid

2-[5-(4-methylphenyl)imidazol-1-yl]-4-phenyl-1,3-thiazole-5-carboxylic acid (PubChem CID 174578106) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)imidazol-1-yl]-4-phenyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)imidazol-1-yl]-4-phenyl-1,3-thiazole-5-carboxylic acid
PubChem CID174578106
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name2-[5-(4-methylphenyl)imidazol-1-yl]-4-phenyl-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(-c2cncn2-c2nc(-c3ccccc3)c(C(=O)O)s2)cc1
InChIInChI=1S/C20H15N3O2S/c1-13-7-9-14(10-8-13)16-11-21-12-23(16)20-22-17(18(26-20)19(24)25)15-5-3-2-4-6-15/h2-12H,1H3,(H,24,25)
InChIKeyMVFIBMAPLVRBBX-UHFFFAOYSA-N
XLogP4.67
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(4-methylphenyl)imidazol-1-yl]-4-phenyl-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

Ethyl 3-methyl-6-phenylimidazo[2,1-b]thiazole-2-carboxylate
CID 853929
4-(5,6,7,8-Tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)benzoic acid
CID 11508281
Methyl 4-(5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)benzoate
CID 145987760
2-(p-Carboxyphenyl)imidazo[2,1-b]benzothiazole
CID 12926123
4-[(E)-[[2-(6-phenylimidazo[2,1-b]thiazol-3-yl)acetyl]hydrazono]methyl]benzoic acid
CID 9575415
4-[4-[[2-Butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]-2-methyl-1,3-thiazole-5-carboxylic acid
CID 10025112
4-[4-[[2-Butyl-5-chloro-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]-2-methyl-1,3-thiazole-5-carboxylic acid
CID 10093562
2-(1-Benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 51032680
Ethyl 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole-5-carboxylate
CID 2744330
3-Methyl-6-phenylimidazo[2,1-b]thiazole-2-carboxylic acid
CID 693228
2-[[2-Butyl-3-[(4-carboxyphenyl)methyl]imidazol-4-yl]methylsulfanyl]pyridine-3-carboxylic acid
CID 44211555
3-[2-Butyl-3-[(4-phenylphenyl)methyl]imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid
CID 53789017

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)imidazol-1-yl]-4-phenyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[5-(4-methylphenyl)imidazol-1-yl]-4-phenyl-1,3-thiazole-5-carboxylic acid (CID 174578106) is 2-[5-(4-methylphenyl)imidazol-1-yl]-4-phenyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[5-(4-methylphenyl)imidazol-1-yl]-4-phenyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[5-(4-methylphenyl)imidazol-1-yl]-4-phenyl-1,3-thiazole-5-carboxylic acid is Cc1ccc(-c2cncn2-c2nc(-c3ccccc3)c(C(=O)O)s2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)imidazol-1-yl]-4-phenyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is MVFIBMAPLVRBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-13-7-9-14(10-8-13)16-11-21-12-23(16)20-22-17(18(26-20)19(24)25)15-5-3-2-4-6-15/h2-12H,1H3,(H,24,25).
What are the key properties of 2-[5-(4-methylphenyl)imidazol-1-yl]-4-phenyl-1,3-thiazole-5-carboxylic acid?
2-[5-(4-methylphenyl)imidazol-1-yl]-4-phenyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 361.43 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)imidazol-1-yl]-4-phenyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 174578106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).