5-[2-(4-benzylanilino)-1,3-thiazol-4-yl]-2-hydroxybenzoic acid

C23H18N2O3S — CID 11516941

IUPAC5-[2-(4-benzylanilino)-1,3-thiazol-4-yl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(-c2csc(Nc3ccc(Cc4ccccc4)cc3)n2)ccc1O
InChIInChI=1S/C23H18N2O3S/c26-21-11-8-17(13-19(21)22(27)28)20-14-29-23(25-20)24-18-9-6-16(7-10-18)12-15-4-2-1-3-5-15/h1-11,13-14,26H,12H2,(H,24,25)(H,27,28)
InChIKeyBJNPPGLYYHTNCO-UHFFFAOYSA-N
MW402.48 g/mol
LogP5.55
Rot. Bonds6

About 5-[2-(4-benzylanilino)-1,3-thiazol-4-yl]-2-hydroxybenzoic acid

5-[2-(4-benzylanilino)-1,3-thiazol-4-yl]-2-hydroxybenzoic acid (PubChem CID 11516941) has the molecular formula C23H18N2O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is 5-[2-(4-benzylanilino)-1,3-thiazol-4-yl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[2-(4-benzylanilino)-1,3-thiazol-4-yl]-2-hydroxybenzoic acid
PubChem CID11516941
Molecular FormulaC23H18N2O3S
Molecular Weight402.48 g/mol
Exact Mass402.10
IUPAC Name5-[2-(4-benzylanilino)-1,3-thiazol-4-yl]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(-c2csc(Nc3ccc(Cc4ccccc4)cc3)n2)ccc1O
InChIInChI=1S/C23H18N2O3S/c26-21-11-8-17(13-19(21)22(27)28)20-14-29-23(25-20)24-18-9-6-16(7-10-18)12-15-4-2-1-3-5-15/h1-11,13-14,26H,12H2,(H,24,25)(H,27,28)
InChIKeyBJNPPGLYYHTNCO-UHFFFAOYSA-N
XLogP5.55
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.48
LogP ≤ 55.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 695909
2-hydroxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 695875
4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 877536
N-(3-benzylphenyl)-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 58791991
4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 23889662
4-[2-(4-methylanilino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 962878
4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 1092447
1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea
CID 121080622
5-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 695891
2-hydroxy-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide
CID 155566832
4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 2928782
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride
CID 42914899

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-benzylanilino)-1,3-thiazol-4-yl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[2-(4-benzylanilino)-1,3-thiazol-4-yl]-2-hydroxybenzoic acid (CID 11516941) is 5-[2-(4-benzylanilino)-1,3-thiazol-4-yl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[2-(4-benzylanilino)-1,3-thiazol-4-yl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[2-(4-benzylanilino)-1,3-thiazol-4-yl]-2-hydroxybenzoic acid is O=C(O)c1cc(-c2csc(Nc3ccc(Cc4ccccc4)cc3)n2)ccc1O.
What is the InChIKey of 5-[2-(4-benzylanilino)-1,3-thiazol-4-yl]-2-hydroxybenzoic acid?
The InChIKey is BJNPPGLYYHTNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3S/c26-21-11-8-17(13-19(21)22(27)28)20-14-29-23(25-20)24-18-9-6-16(7-10-18)12-15-4-2-1-3-5-15/h1-11,13-14,26H,12H2,(H,24,25)(H,27,28).
What are the key properties of 5-[2-(4-benzylanilino)-1,3-thiazol-4-yl]-2-hydroxybenzoic acid?
5-[2-(4-benzylanilino)-1,3-thiazol-4-yl]-2-hydroxybenzoic acid has a molecular weight of 402.48 g/mol, XLogP of 5.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-benzylanilino)-1,3-thiazol-4-yl]-2-hydroxybenzoic acid is sourced from PubChem (CID 11516941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).