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

C15H11N3O3S — CID 972853

IUPAC2-hydroxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc(-c3cccnc3)cs2)cc1O
InChIInChI=1S/C15H11N3O3S/c19-13-6-10(3-4-11(13)14(20)21)17-15-18-12(8-22-15)9-2-1-5-16-7-9/h1-8,19H,(H,17,18)(H,20,21)
InChIKeyNMDJFPIXSKAWRM-UHFFFAOYSA-N
MW313.34 g/mol
LogP3.35
Rot. Bonds4

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

2-hydroxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid (PubChem CID 972853) has the molecular formula C15H11N3O3S and a molecular weight of 313.34 g/mol. Its IUPAC name is 2-hydroxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid
PubChem CID972853
Molecular FormulaC15H11N3O3S
Molecular Weight313.34 g/mol
Exact Mass313.05
IUPAC Name2-hydroxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc(-c3cccnc3)cs2)cc1O
InChIInChI=1S/C15H11N3O3S/c19-13-6-10(3-4-11(13)14(20)21)17-15-18-12(8-22-15)9-2-1-5-16-7-9/h1-8,19H,(H,17,18)(H,20,21)
InChIKeyNMDJFPIXSKAWRM-UHFFFAOYSA-N
XLogP3.35
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-Pyridin-3-yl-thiazol-2-ylamino)-benzoic acid
CID 704565
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
2-(2-hydroxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 60097661
4-{[4-Amino-5-(Pyridin-3-Ylcarbonyl)-1,3-Thiazol-2-Yl]amino}benzoic Acid
CID 73347326
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
2-hydroxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 72206228
Benzoic acid, 4-[[4-(2-pyridinyl)-2-thiazolyl]amino]-
CID 704429
2-Hydroxy-4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]carbamothioylamino]benzoic acid
CID 168284306
3-[(4-(4-Pyridyl)-1,3-thiazol-2-yl)amino]phenol
CID 704488

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid (CID 972853) is 2-hydroxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid is O=C(O)c1ccc(Nc2nc(-c3cccnc3)cs2)cc1O.
What is the InChIKey of 2-hydroxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid?
The InChIKey is NMDJFPIXSKAWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3S/c19-13-6-10(3-4-11(13)14(20)21)17-15-18-12(8-22-15)9-2-1-5-16-7-9/h1-8,19H,(H,17,18)(H,20,21).
What are the key properties of 2-hydroxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid?
2-hydroxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid has a molecular weight of 313.34 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid is sourced from PubChem (CID 972853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).