N-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)pyrazin-2-amine

C13H9ClN4S — CID 25230481

IUPACN-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)pyrazin-2-amine
SMILESClc1ccc(Nc2cncc(-c3nccs3)n2)cc1
InChIInChI=1S/C13H9ClN4S/c14-9-1-3-10(4-2-9)17-12-8-15-7-11(18-12)13-16-5-6-19-13/h1-8H,(H,17,18)
InChIKeyRDUBYQNKJSBSFC-UHFFFAOYSA-N
MW288.76 g/mol
LogP4.00
Rot. Bonds3

About N-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)pyrazin-2-amine

N-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)pyrazin-2-amine (PubChem CID 25230481) has the molecular formula C13H9ClN4S and a molecular weight of 288.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)pyrazin-2-amine
PubChem CID25230481
Molecular FormulaC13H9ClN4S
Molecular Weight288.76 g/mol
Exact Mass288.02
IUPAC NameN-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)pyrazin-2-amine
SMILESClc1ccc(Nc2cncc(-c3nccs3)n2)cc1
InChIInChI=1S/C13H9ClN4S/c14-9-1-3-10(4-2-9)17-12-8-15-7-11(18-12)13-16-5-6-19-13/h1-8H,(H,17,18)
InChIKeyRDUBYQNKJSBSFC-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-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)pyrazin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)pyrazin-2-amine (CID 25230481) is N-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)pyrazin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)pyrazin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)pyrazin-2-amine is Clc1ccc(Nc2cncc(-c3nccs3)n2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)pyrazin-2-amine?
The InChIKey is RDUBYQNKJSBSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4S/c14-9-1-3-10(4-2-9)17-12-8-15-7-11(18-12)13-16-5-6-19-13/h1-8H,(H,17,18).
What are the key properties of N-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)pyrazin-2-amine?
N-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)pyrazin-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-(4-chlorophenyl)-6-(1,3-thiazol-2-yl)pyrazin-2-amine is sourced from PubChem (CID 25230481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).