5-bromo-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid

C11H10BrN3O2S — CID 55260858

IUPAC5-bromo-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Br)cnc1NCCc1cscn1
InChIInChI=1S/C11H10BrN3O2S/c12-7-3-9(11(16)17)10(14-4-7)13-2-1-8-5-18-6-15-8/h3-6H,1-2H2,(H,13,14)(H,16,17)
InChIKeyPJJNQNGAIQYBEJ-UHFFFAOYSA-N
MW328.19 g/mol
LogP2.65
Rot. Bonds5

About 5-bromo-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid

5-bromo-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 55260858) has the molecular formula C11H10BrN3O2S and a molecular weight of 328.19 g/mol. Its IUPAC name is 5-bromo-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid
PubChem CID55260858
Molecular FormulaC11H10BrN3O2S
Molecular Weight328.19 g/mol
Exact Mass326.97
IUPAC Name5-bromo-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Br)cnc1NCCc1cscn1
InChIInChI=1S/C11H10BrN3O2S/c12-7-3-9(11(16)17)10(14-4-7)13-2-1-8-5-18-6-15-8/h3-6H,1-2H2,(H,13,14)(H,16,17)
InChIKeyPJJNQNGAIQYBEJ-UHFFFAOYSA-N
XLogP2.65
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 63825090
1-[2-(1,3-thiazol-4-yl)ethylamino]isoquinoline-4-carboxylic acid
CID 106767085
5-bromo-2-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 63825797
6-chloro-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid
CID 63824843
2-bromo-3-fluoro-4-[2-(1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 107540309
5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid
CID 64912935
5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63537700
5-bromo-2-(1,3-thiazol-4-ylmethylamino)benzoic acid
CID 114895801
5-bromo-2-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid
CID 106261575
5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid
CID 62634793
5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid
CID 62001365
3,5-difluoro-4-[2-(1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 63825206

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid (CID 55260858) is 5-bromo-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid is O=C(O)c1cc(Br)cnc1NCCc1cscn1.
What is the InChIKey of 5-bromo-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is PJJNQNGAIQYBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2S/c12-7-3-9(11(16)17)10(14-4-7)13-2-1-8-5-18-6-15-8/h3-6H,1-2H2,(H,13,14)(H,16,17).
What are the key properties of 5-bromo-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid?
5-bromo-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 328.19 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 55260858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).