N-(5-chloro-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine

C13H9ClN4S — CID 973099

IUPACN-(5-chloro-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nc(-c3ccccn3)cs2)nc1
InChIInChI=1S/C13H9ClN4S/c14-9-4-5-12(16-7-9)18-13-17-11(8-19-13)10-3-1-2-6-15-10/h1-8H,(H,16,17,18)
InChIKeyXIMLXPRKZACEAD-UHFFFAOYSA-N
MW288.76 g/mol
LogP4.00
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine

N-(5-chloro-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 973099) has the molecular formula C13H9ClN4S and a molecular weight of 288.76 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID973099
Molecular FormulaC13H9ClN4S
Molecular Weight288.76 g/mol
Exact Mass288.02
IUPAC NameN-(5-chloro-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nc(-c3ccccn3)cs2)nc1
InChIInChI=1S/C13H9ClN4S/c14-9-4-5-12(16-7-9)18-13-17-11(8-19-13)10-3-1-2-6-15-10/h1-8H,(H,16,17,18)
InChIKeyXIMLXPRKZACEAD-UHFFFAOYSA-N
XLogP4.00
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine (CID 973099) is N-(5-chloro-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine is Clc1ccc(Nc2nc(-c3ccccn3)cs2)nc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is XIMLXPRKZACEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4S/c14-9-4-5-12(16-7-9)18-13-17-11(8-19-13)10-3-1-2-6-15-10/h1-8H,(H,16,17,18).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
N-(5-chloro-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 288.76 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 973099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).