4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid

C16H11ClN2O3S — CID 2212684

IUPAC4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1O
InChIInChI=1S/C16H11ClN2O3S/c17-10-3-1-9(2-4-10)13-8-23-16(19-13)18-11-5-6-12(15(21)22)14(20)7-11/h1-8,20H,(H,18,19)(H,21,22)
InChIKeyNSPLXNBEHSXYHJ-UHFFFAOYSA-N
MW346.80 g/mol
LogP4.61
Rot. Bonds4

About 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid

4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid (PubChem CID 2212684) has the molecular formula C16H11ClN2O3S and a molecular weight of 346.80 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
PubChem CID2212684
Molecular FormulaC16H11ClN2O3S
Molecular Weight346.80 g/mol
Exact Mass346.02
IUPAC Name4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1O
InChIInChI=1S/C16H11ClN2O3S/c17-10-3-1-9(2-4-10)13-8-23-16(19-13)18-11-5-6-12(15(21)22)14(20)7-11/h1-8,20H,(H,18,19)(H,21,22)
InChIKeyNSPLXNBEHSXYHJ-UHFFFAOYSA-N
XLogP4.61
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.80
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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
2-hydroxy-4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]benzoic Acid
CID 7328982
4-[(4-Phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 877536
2-Hydroxy-4-(4-pyridin-3-yl-thiazol-2-ylamino)-benzoic acid
CID 972853
3-{[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 877802
3-{[4-(2,4-Dihydroxyphenyl)-1,3-thiazol-2-yl]amino}benzoic acid
CID 705543
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
4-[[4-[3-(Benzylsulfamoyl)-4-fluorophenyl]-1,3-thiazol-2-yl]carbamothioylamino]-2-hydroxybenzoic acid
CID 168273252
2-Hydroxy-4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]carbamothioylamino]benzoic acid
CID 168284306

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid (CID 2212684) is 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid is O=C(O)c1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1O.
What is the InChIKey of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid?
The InChIKey is NSPLXNBEHSXYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3S/c17-10-3-1-9(2-4-10)13-8-23-16(19-13)18-11-5-6-12(15(21)22)14(20)7-11/h1-8,20H,(H,18,19)(H,21,22).
What are the key properties of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid?
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid has a molecular weight of 346.80 g/mol, XLogP of 4.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 2212684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).