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

C15H14N4S — CID 133470230

IUPAC6-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrazin-2-amine
SMILESCc1cncc(NC(c2ccccc2)c2nccs2)n1
InChIInChI=1S/C15H14N4S/c1-11-9-16-10-13(18-11)19-14(15-17-7-8-20-15)12-5-3-2-4-6-12/h2-10,14H,1H3,(H,18,19)
InChIKeyGXURFKVKTNFKBT-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.44
Rot. Bonds4

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

6-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrazin-2-amine (PubChem CID 133470230) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 6-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrazin-2-amine
PubChem CID133470230
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name6-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrazin-2-amine
SMILESCc1cncc(NC(c2ccccc2)c2nccs2)n1
InChIInChI=1S/C15H14N4S/c1-11-9-16-10-13(18-11)19-14(15-17-7-8-20-15)12-5-3-2-4-6-12/h2-10,14H,1H3,(H,18,19)
InChIKeyGXURFKVKTNFKBT-UHFFFAOYSA-N
XLogP3.44
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrazin-2-amine?
The IUPAC name of 6-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrazin-2-amine (CID 133470230) is 6-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrazin-2-amine is Cc1cncc(NC(c2ccccc2)c2nccs2)n1.
What is the InChIKey of 6-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrazin-2-amine?
The InChIKey is GXURFKVKTNFKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-11-9-16-10-13(18-11)19-14(15-17-7-8-20-15)12-5-3-2-4-6-12/h2-10,14H,1H3,(H,18,19).
What are the key properties of 6-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrazin-2-amine?
6-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrazin-2-amine has a molecular weight of 282.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 133470230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).