2-[2-(3-acetamidophenyl)phenyl]-1,3-thiazole-4-carboxylic acid

C18H14N2O3S — CID 175212165

IUPAC2-[2-(3-acetamidophenyl)phenyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)Nc1cccc(-c2ccccc2-c2nc(C(=O)O)cs2)c1
InChIInChI=1S/C18H14N2O3S/c1-11(21)19-13-6-4-5-12(9-13)14-7-2-3-8-15(14)17-20-16(10-24-17)18(22)23/h2-10H,1H3,(H,19,21)(H,22,23)
InChIKeyVYTAYSXSRMAFHY-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.13
Rot. Bonds4

About 2-[2-(3-acetamidophenyl)phenyl]-1,3-thiazole-4-carboxylic acid

2-[2-(3-acetamidophenyl)phenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 175212165) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[2-(3-acetamidophenyl)phenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(3-acetamidophenyl)phenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID175212165
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC Name2-[2-(3-acetamidophenyl)phenyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)Nc1cccc(-c2ccccc2-c2nc(C(=O)O)cs2)c1
InChIInChI=1S/C18H14N2O3S/c1-11(21)19-13-6-4-5-12(9-13)14-7-2-3-8-15(14)17-20-16(10-24-17)18(22)23/h2-10H,1H3,(H,19,21)(H,22,23)
InChIKeyVYTAYSXSRMAFHY-UHFFFAOYSA-N
XLogP4.13
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18197950
5-(3-acetamidophenyl)pyridine-2-carboxylic acid
CID 50998543
N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46479944
2-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39160138
2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306
2-(3-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140162
N-(3-methylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 55415574
2-(2-iodo-3-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 169498576
3-(3-acetamidophenyl)pyridine-4-carboxylic acid
CID 53223642
N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564808
N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 122159689
2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108770274

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-acetamidophenyl)phenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-(3-acetamidophenyl)phenyl]-1,3-thiazole-4-carboxylic acid (CID 175212165) is 2-[2-(3-acetamidophenyl)phenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(3-acetamidophenyl)phenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(3-acetamidophenyl)phenyl]-1,3-thiazole-4-carboxylic acid is CC(=O)Nc1cccc(-c2ccccc2-c2nc(C(=O)O)cs2)c1.
What is the InChIKey of 2-[2-(3-acetamidophenyl)phenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is VYTAYSXSRMAFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c1-11(21)19-13-6-4-5-12(9-13)14-7-2-3-8-15(14)17-20-16(10-24-17)18(22)23/h2-10H,1H3,(H,19,21)(H,22,23).
What are the key properties of 2-[2-(3-acetamidophenyl)phenyl]-1,3-thiazole-4-carboxylic acid?
2-[2-(3-acetamidophenyl)phenyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 338.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-acetamidophenyl)phenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 175212165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).