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

C12H10ClN3O2S — CID 61481003

IUPAC5-chloro-6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Nc2nc(C3CC3)cs2)c(Cl)c1
InChIInChI=1S/C12H10ClN3O2S/c13-8-3-7(11(17)18)4-14-10(8)16-12-15-9(5-19-12)6-1-2-6/h3-6H,1-2H2,(H,17,18)(H,14,15,16)
InChIKeyZPXIBEAQPBCILG-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.51
Rot. Bonds4

About 5-chloro-6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carboxylic acid

5-chloro-6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carboxylic acid (PubChem CID 61481003) has the molecular formula C12H10ClN3O2S and a molecular weight of 295.75 g/mol. Its IUPAC name is 5-chloro-6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carboxylic acid
PubChem CID61481003
Molecular FormulaC12H10ClN3O2S
Molecular Weight295.75 g/mol
Exact Mass295.02
IUPAC Name5-chloro-6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Nc2nc(C3CC3)cs2)c(Cl)c1
InChIInChI=1S/C12H10ClN3O2S/c13-8-3-7(11(17)18)4-14-10(8)16-12-15-9(5-19-12)6-1-2-6/h3-6H,1-2H2,(H,17,18)(H,14,15,16)
InChIKeyZPXIBEAQPBCILG-UHFFFAOYSA-N
XLogP3.51
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carboxylic acid (CID 61481003) is 5-chloro-6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carboxylic acid is O=C(O)c1cnc(Nc2nc(C3CC3)cs2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is ZPXIBEAQPBCILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S/c13-8-3-7(11(17)18)4-14-10(8)16-12-15-9(5-19-12)6-1-2-6/h3-6H,1-2H2,(H,17,18)(H,14,15,16).
What are the key properties of 5-chloro-6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carboxylic acid?
5-chloro-6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 295.75 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 61481003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).