6-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine

C9H9ClN4S — CID 63283678

IUPAC6-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
SMILESCc1ncsc1CNc1cncc(Cl)n1
InChIInChI=1S/C9H9ClN4S/c1-6-7(15-5-13-6)2-12-9-4-11-3-8(10)14-9/h3-5H,2H2,1H3,(H,12,14)
InChIKeyBMTZKQAQRQROEV-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.51
Rot. Bonds3

About 6-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine

6-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine (PubChem CID 63283678) has the molecular formula C9H9ClN4S and a molecular weight of 240.72 g/mol. Its IUPAC name is 6-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
PubChem CID63283678
Molecular FormulaC9H9ClN4S
Molecular Weight240.72 g/mol
Exact Mass240.02
IUPAC Name6-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
SMILESCc1ncsc1CNc1cncc(Cl)n1
InChIInChI=1S/C9H9ClN4S/c1-6-7(15-5-13-6)2-12-9-4-11-3-8(10)14-9/h3-5H,2H2,1H3,(H,12,14)
InChIKeyBMTZKQAQRQROEV-UHFFFAOYSA-N
XLogP2.51
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine (CID 63283678) is 6-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine is Cc1ncsc1CNc1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine?
The InChIKey is BMTZKQAQRQROEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4S/c1-6-7(15-5-13-6)2-12-9-4-11-3-8(10)14-9/h3-5H,2H2,1H3,(H,12,14).
What are the key properties of 6-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine?
6-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine has a molecular weight of 240.72 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 63283678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).