2-hydroxy-4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid

C19H12N2O5S — CID 1075912

IUPAC2-hydroxy-4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1O
InChIInChI=1S/C19H12N2O5S/c22-15-8-11(5-6-12(15)17(23)24)20-19-21-14(9-27-19)13-7-10-3-1-2-4-16(10)26-18(13)25/h1-9,22H,(H,20,21)(H,23,24)
InChIKeyOAWLITOZLRAKJG-UHFFFAOYSA-N
MW380.38 g/mol
LogP4.06
Rot. Bonds4

About 2-hydroxy-4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid

2-hydroxy-4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid (PubChem CID 1075912) has the molecular formula C19H12N2O5S and a molecular weight of 380.38 g/mol. Its IUPAC name is 2-hydroxy-4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid
PubChem CID1075912
Molecular FormulaC19H12N2O5S
Molecular Weight380.38 g/mol
Exact Mass380.05
IUPAC Name2-hydroxy-4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1O
InChIInChI=1S/C19H12N2O5S/c22-15-8-11(5-6-12(15)17(23)24)20-19-21-14(9-27-19)13-7-10-3-1-2-4-16(10)26-18(13)25/h1-9,22H,(H,20,21)(H,23,24)
InChIKeyOAWLITOZLRAKJG-UHFFFAOYSA-N
XLogP4.06
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-{[4-(4-Fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid
CID 695906
4-{[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]amino}benzoic acid
CID 24776309
4-{[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid
CID 2212684
2-hydroxy-4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]benzoic Acid
CID 7328982
3-[2-(4-Hydroxyanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 695916
3-[2-(4-Hydroxy-phenylamino)-thiazol-4-yl]-6-methoxy-chromen-2-one
CID 1159993
3-[4-(2-Oxo-2H-chromen-3-yl)-thiazol-2-ylamino]-benzoic acid
CID 1075903
3-[2-(4-Aminoanilino)-4-thiazolyl]-1-benzopyran-2-one
CID 1075906
N-{4-[4-(2-Oxo-2H-chromen-3-yl)-thiazol-2-ylamino]-phenyl}-acetamide
CID 1075907
4-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 2215046
2-Carboxy-5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenolate
CID 54704766
4-{[4-(2,4-Dihydroxyphenyl)-1,3-thiazol-2-yl]amino}benzoic acid
CID 705545

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid (CID 1075912) is 2-hydroxy-4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid is O=C(O)c1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1O.
What is the InChIKey of 2-hydroxy-4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid?
The InChIKey is OAWLITOZLRAKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O5S/c22-15-8-11(5-6-12(15)17(23)24)20-19-21-14(9-27-19)13-7-10-3-1-2-4-16(10)26-18(13)25/h1-9,22H,(H,20,21)(H,23,24).
What are the key properties of 2-hydroxy-4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid?
2-hydroxy-4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid has a molecular weight of 380.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid is sourced from PubChem (CID 1075912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).