2-methoxy-4-phenyl-1,3-thiazole-5-carboxylic acid

C11H9NO3S — CID 3063103

IUPAC2-methoxy-4-phenyl-1,3-thiazole-5-carboxylic acid
SMILESCOc1nc(-c2ccccc2)c(C(=O)O)s1
InChIInChI=1S/C11H9NO3S/c1-15-11-12-8(9(16-11)10(13)14)7-5-3-2-4-6-7/h2-6H,1H3,(H,13,14)
InChIKeyQWPMVSBDUJXOJW-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.52
Rot. Bonds3

About 2-methoxy-4-phenyl-1,3-thiazole-5-carboxylic acid

2-methoxy-4-phenyl-1,3-thiazole-5-carboxylic acid (PubChem CID 3063103) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-methoxy-4-phenyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-4-phenyl-1,3-thiazole-5-carboxylic acid
PubChem CID3063103
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name2-methoxy-4-phenyl-1,3-thiazole-5-carboxylic acid
SMILESCOc1nc(-c2ccccc2)c(C(=O)O)s1
InChIInChI=1S/C11H9NO3S/c1-15-11-12-8(9(16-11)10(13)14)7-5-3-2-4-6-7/h2-6H,1H3,(H,13,14)
InChIKeyQWPMVSBDUJXOJW-UHFFFAOYSA-N
XLogP2.52
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate
CID 73239
Ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 2743970
4-Methyl-2-phenyl-thiazole-5-carboxylic acid
CID 720957
4-Methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 2763625
2-(4-Chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 2768679
4-Methyl-2-(4-(trifluoromethyl)phenyl)-5-thiazolecarboxylic acid
CID 2775663
Ethyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 7131013
Ethyl 4-phenylthiazole-5-carboxylate
CID 13441325
5-Methyl-2-phenyl-1,3-thiazole-4-carboxylic acid
CID 13835304
Ethyl 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 824474
4-(5-Methyl-4-phenyl-1,3-thiazol-2-yl)benzoic acid
CID 60729785
4-Methyl-2-(3-(trifluoromethyl)phenyl)-1,3-thiazole-5-carboxylic acid
CID 1483671

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-phenyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-methoxy-4-phenyl-1,3-thiazole-5-carboxylic acid (CID 3063103) is 2-methoxy-4-phenyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-methoxy-4-phenyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-methoxy-4-phenyl-1,3-thiazole-5-carboxylic acid is COc1nc(-c2ccccc2)c(C(=O)O)s1.
What is the InChIKey of 2-methoxy-4-phenyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is QWPMVSBDUJXOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c1-15-11-12-8(9(16-11)10(13)14)7-5-3-2-4-6-7/h2-6H,1H3,(H,13,14).
What are the key properties of 2-methoxy-4-phenyl-1,3-thiazole-5-carboxylic acid?
2-methoxy-4-phenyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 235.26 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-phenyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 3063103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).