4-amino-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxylic acid

C11H10N2O3S — CID 13073206

IUPAC4-amino-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxylic acid
SMILESCOc1cccc(-c2nsc(C(=O)O)c2N)c1
InChIInChI=1S/C11H10N2O3S/c1-16-7-4-2-3-6(5-7)9-8(12)10(11(14)15)17-13-9/h2-5H,12H2,1H3,(H,14,15)
InChIKeyGRNOCZRDQWBXMR-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.10
Rot. Bonds3

About 4-amino-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxylic acid

4-amino-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxylic acid (PubChem CID 13073206) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 4-amino-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxylic acid
PubChem CID13073206
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name4-amino-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxylic acid
SMILESCOc1cccc(-c2nsc(C(=O)O)c2N)c1
InChIInChI=1S/C11H10N2O3S/c1-16-7-4-2-3-6(5-7)9-8(12)10(11(14)15)17-13-9/h2-5H,12H2,1H3,(H,14,15)
InChIKeyGRNOCZRDQWBXMR-UHFFFAOYSA-N
XLogP2.10
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 66489722
4-amino-N-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxamide
CID 53335741
4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82129354
2-amino-4-(3-methoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 82475428
(4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 53141395
6-amino-3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 53229205
2-acetamido-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82226564
4-amino-2-(3-methoxyphenyl)benzoic acid
CID 82293595
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82362326
3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 22554992
[4-amino-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 52906138

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 4-amino-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxylic acid (CID 13073206) is 4-amino-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-amino-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 4-amino-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxylic acid is COc1cccc(-c2nsc(C(=O)O)c2N)c1.
What is the InChIKey of 4-amino-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxylic acid?
The InChIKey is GRNOCZRDQWBXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-16-7-4-2-3-6(5-7)9-8(12)10(11(14)15)17-13-9/h2-5H,12H2,1H3,(H,14,15).
What are the key properties of 4-amino-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxylic acid?
4-amino-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxylic acid has a molecular weight of 250.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 13073206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).