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

C11H9ClN2O3S — CID 168579616

IUPAC4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NCc2cnc(Cl)s2)cc1O
InChIInChI=1S/C11H9ClN2O3S/c12-11-14-5-7(18-11)4-13-6-1-2-8(10(16)17)9(15)3-6/h1-3,5,13,15H,4H2,(H,16,17)
InChIKeyMBKQYMOEJBNJAY-UHFFFAOYSA-N
MW284.72 g/mol
LogP2.81
Rot. Bonds4

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

4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxybenzoic acid (PubChem CID 168579616) has the molecular formula C11H9ClN2O3S and a molecular weight of 284.72 g/mol. Its IUPAC name is 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxybenzoic acid
PubChem CID168579616
Molecular FormulaC11H9ClN2O3S
Molecular Weight284.72 g/mol
Exact Mass284.00
IUPAC Name4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NCc2cnc(Cl)s2)cc1O
InChIInChI=1S/C11H9ClN2O3S/c12-11-14-5-7(18-11)4-13-6-1-2-8(10(16)17)9(15)3-6/h1-3,5,13,15H,4H2,(H,16,17)
InChIKeyMBKQYMOEJBNJAY-UHFFFAOYSA-N
XLogP2.81
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168580143
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-nitrophenol
CID 168579558
ethyl 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylbenzoate
CID 168580385
2,6-dichloro-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol
CID 168580497
2-bromo-3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168579944
4-[(4,6-dichloro-2-pyridinyl)methylamino]-2-hydroxybenzoic acid
CID 86292283
4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
CID 168582394
4-(3-chloropropylamino)-2-hydroxybenzoic acid
CID 71775574
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline
CID 168581142
1-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-fluorophenyl]pyrazole-3-carboxylic acid
CID 168581494
2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide
CID 168583841
1-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 168580151

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxybenzoic acid (CID 168579616) is 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxybenzoic acid is O=C(O)c1ccc(NCc2cnc(Cl)s2)cc1O.
What is the InChIKey of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxybenzoic acid?
The InChIKey is MBKQYMOEJBNJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3S/c12-11-14-5-7(18-11)4-13-6-1-2-8(10(16)17)9(15)3-6/h1-3,5,13,15H,4H2,(H,16,17).
What are the key properties of 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxybenzoic acid?
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxybenzoic acid has a molecular weight of 284.72 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 168579616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).