2-chloro-6-(1,3-thiazol-4-ylmethylamino)benzoic acid

C11H9ClN2O2S — CID 63825805

IUPAC2-chloro-6-(1,3-thiazol-4-ylmethylamino)benzoic acid
SMILESO=C(O)c1c(Cl)cccc1NCc1cscn1
InChIInChI=1S/C11H9ClN2O2S/c12-8-2-1-3-9(10(8)11(15)16)13-4-7-5-17-6-14-7/h1-3,5-6,13H,4H2,(H,15,16)
InChIKeyWXSSIYIWBADAQL-UHFFFAOYSA-N
MW268.72 g/mol
LogP3.11
Rot. Bonds4

About 2-chloro-6-(1,3-thiazol-4-ylmethylamino)benzoic acid

2-chloro-6-(1,3-thiazol-4-ylmethylamino)benzoic acid (PubChem CID 63825805) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.72 g/mol. Its IUPAC name is 2-chloro-6-(1,3-thiazol-4-ylmethylamino)benzoic acid.

Molecular Properties

Compound Name2-chloro-6-(1,3-thiazol-4-ylmethylamino)benzoic acid
PubChem CID63825805
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.72 g/mol
Exact Mass268.01
IUPAC Name2-chloro-6-(1,3-thiazol-4-ylmethylamino)benzoic acid
SMILESO=C(O)c1c(Cl)cccc1NCc1cscn1
InChIInChI=1S/C11H9ClN2O2S/c12-8-2-1-3-9(10(8)11(15)16)13-4-7-5-17-6-14-7/h1-3,5-6,13H,4H2,(H,15,16)
InChIKeyWXSSIYIWBADAQL-UHFFFAOYSA-N
XLogP3.11
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 103478131
2-amino-6-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63830369
5-(1,3-thiazol-4-ylmethylamino)naphthalen-1-ol
CID 61169852
2-chloro-6-[(2-ethylphenyl)methylamino]benzoic acid
CID 64694791
2-[(4-bromophenyl)methylamino]-6-chlorobenzoic acid
CID 62711304
2-chloro-6-[(4-fluorophenyl)methylamino]benzoic acid
CID 62710779
methyl 2-(1,3-thiazol-4-ylmethylamino)benzoate
CID 60684068
2-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoic acid
CID 114181032
4-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylic acid
CID 81244868
1-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 111450585
2-chloro-4-iodo-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169264
3-(1,3-thiazol-4-ylmethylamino)-1H-pyridin-2-one
CID 130778586

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1,3-thiazol-4-ylmethylamino)benzoic acid?
The IUPAC name of 2-chloro-6-(1,3-thiazol-4-ylmethylamino)benzoic acid (CID 63825805) is 2-chloro-6-(1,3-thiazol-4-ylmethylamino)benzoic acid.
What is the SMILES notation for 2-chloro-6-(1,3-thiazol-4-ylmethylamino)benzoic acid?
The canonical SMILES for 2-chloro-6-(1,3-thiazol-4-ylmethylamino)benzoic acid is O=C(O)c1c(Cl)cccc1NCc1cscn1.
What is the InChIKey of 2-chloro-6-(1,3-thiazol-4-ylmethylamino)benzoic acid?
The InChIKey is WXSSIYIWBADAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c12-8-2-1-3-9(10(8)11(15)16)13-4-7-5-17-6-14-7/h1-3,5-6,13H,4H2,(H,15,16).
What are the key properties of 2-chloro-6-(1,3-thiazol-4-ylmethylamino)benzoic acid?
2-chloro-6-(1,3-thiazol-4-ylmethylamino)benzoic acid has a molecular weight of 268.72 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1,3-thiazol-4-ylmethylamino)benzoic acid is sourced from PubChem (CID 63825805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).