4-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-hydroxybenzoic acid

C10H10N2O3S — CID 126478304

IUPAC4-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NC2=NCCS2)cc1O
InChIInChI=1S/C10H10N2O3S/c13-8-5-6(1-2-7(8)9(14)15)12-10-11-3-4-16-10/h1-2,5,13H,3-4H2,(H,11,12)(H,14,15)
InChIKeyUXJIWPWWPARVGT-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.61
Rot. Bonds2

About 4-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-hydroxybenzoic acid

4-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-hydroxybenzoic acid (PubChem CID 126478304) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 4-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-hydroxybenzoic acid
PubChem CID126478304
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name4-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NC2=NCCS2)cc1O
InChIInChI=1S/C10H10N2O3S/c13-8-5-6(1-2-7(8)9(14)15)12-10-11-3-4-16-10/h1-2,5,13H,3-4H2,(H,11,12)(H,14,15)
InChIKeyUXJIWPWWPARVGT-UHFFFAOYSA-N
XLogP1.61
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068216
1-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethanone;hydrochloride
CID 67730537
N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 7303198
N-(4-bromo-3-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107614115
2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoic acid
CID 2859080
2,4-dihydroxybenzoic acid
CID 1491
N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine bromide
CID 21179407
2-hydroxy-4-[(6-nitro-3-pyridinyl)amino]benzoic acid
CID 28854217
4-(chlorosulfonylamino)-2-hydroxybenzoic acid
CID 175169108
2-hydroxy-4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 61189115
2-hydroxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 695875
2-hydroxy-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
CID 972612

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-hydroxybenzoic acid?
The IUPAC name of 4-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-hydroxybenzoic acid (CID 126478304) is 4-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-hydroxybenzoic acid is O=C(O)c1ccc(NC2=NCCS2)cc1O.
What is the InChIKey of 4-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-hydroxybenzoic acid?
The InChIKey is UXJIWPWWPARVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c13-8-5-6(1-2-7(8)9(14)15)12-10-11-3-4-16-10/h1-2,5,13H,3-4H2,(H,11,12)(H,14,15).
What are the key properties of 4-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-hydroxybenzoic acid?
4-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-hydroxybenzoic acid has a molecular weight of 238.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-hydroxybenzoic acid is sourced from PubChem (CID 126478304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).