2-methyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxylic acid

C17H13NO3S — CID 90854958

IUPAC2-methyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccc(Oc3ccccc3)cc2)c(C(=O)O)s1
InChIInChI=1S/C17H13NO3S/c1-11-18-15(16(22-11)17(19)20)12-7-9-14(10-8-12)21-13-5-3-2-4-6-13/h2-10H,1H3,(H,19,20)
InChIKeyMINOQQSRAPZBSC-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.61
Rot. Bonds4

About 2-methyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxylic acid

2-methyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 90854958) has the molecular formula C17H13NO3S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-methyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID90854958
Molecular FormulaC17H13NO3S
Molecular Weight311.36 g/mol
Exact Mass311.06
IUPAC Name2-methyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccc(Oc3ccccc3)cc2)c(C(=O)O)s1
InChIInChI=1S/C17H13NO3S/c1-11-18-15(16(22-11)17(19)20)12-7-9-14(10-8-12)21-13-5-3-2-4-6-13/h2-10H,1H3,(H,19,20)
InChIKeyMINOQQSRAPZBSC-UHFFFAOYSA-N
XLogP4.61
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-(4-phenoxyphenyl)-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-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95495373
2-[2-methyl-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetate
CID 7303255
2-methyl-5-phenoxy-4-phenyl-1,3-thiazole
CID 154105354
1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
CID 59263615
ethane;4-(4-phenoxyphenyl)-2-piperidin-4-yl-1,3-thiazole-5-carboxylic acid
CID 144819259
4-(3-aminophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82226719
4-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82226681
4-(2,6-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 131867670
(2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 24638936
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 94703596
4-(4-chloro-3-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 174768563
2-ethyl-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82226862

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-methyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxylic acid (CID 90854958) is 2-methyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2ccc(Oc3ccccc3)cc2)c(C(=O)O)s1.
What is the InChIKey of 2-methyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is MINOQQSRAPZBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3S/c1-11-18-15(16(22-11)17(19)20)12-7-9-14(10-8-12)21-13-5-3-2-4-6-13/h2-10H,1H3,(H,19,20).
What are the key properties of 2-methyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxylic acid?
2-methyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 311.36 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 90854958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).