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

C20H14N2O3S — CID 7328982

IUPAC2-hydroxy-4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1O
InChIInChI=1S/C20H14N2O3S/c23-18-10-15(7-8-16(18)19(24)25)21-20-22-17(11-26-20)14-6-5-12-3-1-2-4-13(12)9-14/h1-11,23H,(H,21,22)(H,24,25)
InChIKeyHUECFCSRZKSRJF-UHFFFAOYSA-N
MW362.41 g/mol
LogP5.11
Rot. Bonds4

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

2-hydroxy-4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid (PubChem CID 7328982) has the molecular formula C20H14N2O3S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-hydroxy-4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
PubChem CID7328982
Molecular FormulaC20H14N2O3S
Molecular Weight362.41 g/mol
Exact Mass362.07
IUPAC Name2-hydroxy-4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1O
InChIInChI=1S/C20H14N2O3S/c23-18-10-15(7-8-16(18)19(24)25)21-20-22-17(11-26-20)14-6-5-12-3-1-2-4-13(12)9-14/h1-11,23H,(H,21,22)(H,24,25)
InChIKeyHUECFCSRZKSRJF-UHFFFAOYSA-N
XLogP5.11
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.41
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid (CID 7328982) is 2-hydroxy-4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid is O=C(O)c1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1O.
What is the InChIKey of 2-hydroxy-4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid?
The InChIKey is HUECFCSRZKSRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S/c23-18-10-15(7-8-16(18)19(24)25)21-20-22-17(11-26-20)14-6-5-12-3-1-2-4-13(12)9-14/h1-11,23H,(H,21,22)(H,24,25).
What are the key properties of 2-hydroxy-4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid?
2-hydroxy-4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid has a molecular weight of 362.41 g/mol, XLogP of 5.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid is sourced from PubChem (CID 7328982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).