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

C12H7Cl2N5S — CID 122192417

IUPAC5-chloro-N-(5-chloro-2-pyridinyl)-4-pyrazin-2-yl-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nc(-c3cnccn3)c(Cl)s2)nc1
InChIInChI=1S/C12H7Cl2N5S/c13-7-1-2-9(17-5-7)18-12-19-10(11(14)20-12)8-6-15-3-4-16-8/h1-6H,(H,17,18,19)
InChIKeySGQJZGYAKXBRTE-UHFFFAOYSA-N
MW324.20 g/mol
LogP4.05
Rot. Bonds3

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

5-chloro-N-(5-chloro-2-pyridinyl)-4-pyrazin-2-yl-1,3-thiazol-2-amine (PubChem CID 122192417) has the molecular formula C12H7Cl2N5S and a molecular weight of 324.20 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-pyridinyl)-4-pyrazin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-2-pyridinyl)-4-pyrazin-2-yl-1,3-thiazol-2-amine
PubChem CID122192417
Molecular FormulaC12H7Cl2N5S
Molecular Weight324.20 g/mol
Exact Mass322.98
IUPAC Name5-chloro-N-(5-chloro-2-pyridinyl)-4-pyrazin-2-yl-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nc(-c3cnccn3)c(Cl)s2)nc1
InChIInChI=1S/C12H7Cl2N5S/c13-7-1-2-9(17-5-7)18-12-19-10(11(14)20-12)8-6-15-3-4-16-8/h1-6H,(H,17,18,19)
InChIKeySGQJZGYAKXBRTE-UHFFFAOYSA-N
XLogP4.05
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-4-pyrazin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-4-pyrazin-2-yl-1,3-thiazol-2-amine (CID 122192417) is 5-chloro-N-(5-chloro-2-pyridinyl)-4-pyrazin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-chloro-N-(5-chloro-2-pyridinyl)-4-pyrazin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-chloro-N-(5-chloro-2-pyridinyl)-4-pyrazin-2-yl-1,3-thiazol-2-amine is Clc1ccc(Nc2nc(-c3cnccn3)c(Cl)s2)nc1.
What is the InChIKey of 5-chloro-N-(5-chloro-2-pyridinyl)-4-pyrazin-2-yl-1,3-thiazol-2-amine?
The InChIKey is SGQJZGYAKXBRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N5S/c13-7-1-2-9(17-5-7)18-12-19-10(11(14)20-12)8-6-15-3-4-16-8/h1-6H,(H,17,18,19).
What are the key properties of 5-chloro-N-(5-chloro-2-pyridinyl)-4-pyrazin-2-yl-1,3-thiazol-2-amine?
5-chloro-N-(5-chloro-2-pyridinyl)-4-pyrazin-2-yl-1,3-thiazol-2-amine has a molecular weight of 324.20 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-2-pyridinyl)-4-pyrazin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 122192417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).