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

C11H10ClN3O2S — CID 63824843

IUPAC6-chloro-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1NCCc1cscn1
InChIInChI=1S/C11H10ClN3O2S/c12-9-2-1-8(11(16)17)10(15-9)13-4-3-7-5-18-6-14-7/h1-2,5-6H,3-4H2,(H,13,15)(H,16,17)
InChIKeyFKEQKCVZNSCUEK-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.54
Rot. Bonds5

About 6-chloro-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid

6-chloro-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 63824843) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is 6-chloro-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid
PubChem CID63824843
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name6-chloro-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1NCCc1cscn1
InChIInChI=1S/C11H10ClN3O2S/c12-9-2-1-8(11(16)17)10(15-9)13-4-3-7-5-18-6-14-7/h1-2,5-6H,3-4H2,(H,13,15)(H,16,17)
InChIKeyFKEQKCVZNSCUEK-UHFFFAOYSA-N
XLogP2.54
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[2-(1,3-thiazol-4-yl)ethylamino]isoquinoline-4-carboxylic acid
CID 106767085
5-bromo-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid
CID 55260858
2-[2-(1,3-thiazol-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875665
2-bromo-3-fluoro-4-[2-(1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 107540309
6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid
CID 55184898
6-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid
CID 63376781
6-chloro-2-(2-phenoxyethylamino)pyridine-3-carboxylic acid
CID 63380096
6-chloro-2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxylic acid
CID 63537357
6-chloro-2-[2-(2-hydroxyethoxy)ethylamino]pyridine-3-carboxylic acid
CID 55182902
3,6-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-5-amine
CID 81035750
6-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylic acid
CID 114152080
3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carboxylic acid
CID 80516563

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid (CID 63824843) is 6-chloro-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid is O=C(O)c1ccc(Cl)nc1NCCc1cscn1.
What is the InChIKey of 6-chloro-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is FKEQKCVZNSCUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c12-9-2-1-8(11(16)17)10(15-9)13-4-3-7-5-18-6-14-7/h1-2,5-6H,3-4H2,(H,13,15)(H,16,17).
What are the key properties of 6-chloro-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid?
6-chloro-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 283.74 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63824843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).