6-chloro-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine

C12H13ClN4S — CID 167847361

IUPAC6-chloro-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine
SMILESCc1cnc(C(Nc2cncc(Cl)n2)C2CC2)s1
InChIInChI=1S/C12H13ClN4S/c1-7-4-15-12(18-7)11(8-2-3-8)17-10-6-14-5-9(13)16-10/h4-6,8,11H,2-3H2,1H3,(H,16,17)
InChIKeyQCTXPXOLPZQCAA-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.46
Rot. Bonds4

About 6-chloro-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine

6-chloro-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine (PubChem CID 167847361) has the molecular formula C12H13ClN4S and a molecular weight of 280.78 g/mol. Its IUPAC name is 6-chloro-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine
PubChem CID167847361
Molecular FormulaC12H13ClN4S
Molecular Weight280.78 g/mol
Exact Mass280.05
IUPAC Name6-chloro-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine
SMILESCc1cnc(C(Nc2cncc(Cl)n2)C2CC2)s1
InChIInChI=1S/C12H13ClN4S/c1-7-4-15-12(18-7)11(8-2-3-8)17-10-6-14-5-9(13)16-10/h4-6,8,11H,2-3H2,1H3,(H,16,17)
InChIKeyQCTXPXOLPZQCAA-UHFFFAOYSA-N
XLogP3.46
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine (CID 167847361) is 6-chloro-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine is Cc1cnc(C(Nc2cncc(Cl)n2)C2CC2)s1.
What is the InChIKey of 6-chloro-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine?
The InChIKey is QCTXPXOLPZQCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4S/c1-7-4-15-12(18-7)11(8-2-3-8)17-10-6-14-5-9(13)16-10/h4-6,8,11H,2-3H2,1H3,(H,16,17).
What are the key properties of 6-chloro-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine?
6-chloro-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine has a molecular weight of 280.78 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 167847361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).