5-phenyl-N-(thian-3-ylmethyl)pyrazin-2-amine

C16H19N3S — CID 166225530

IUPAC5-phenyl-N-(thian-3-ylmethyl)pyrazin-2-amine
SMILESc1ccc(-c2cnc(NCC3CCCSC3)cn2)cc1
InChIInChI=1S/C16H19N3S/c1-2-6-14(7-3-1)15-10-19-16(11-17-15)18-9-13-5-4-8-20-12-13/h1-3,6-7,10-11,13H,4-5,8-9,12H2,(H,18,19)
InChIKeyQZEBDBCUSRUZPW-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.70
Rot. Bonds4

About 5-phenyl-N-(thian-3-ylmethyl)pyrazin-2-amine

5-phenyl-N-(thian-3-ylmethyl)pyrazin-2-amine (PubChem CID 166225530) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 5-phenyl-N-(thian-3-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-phenyl-N-(thian-3-ylmethyl)pyrazin-2-amine
PubChem CID166225530
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name5-phenyl-N-(thian-3-ylmethyl)pyrazin-2-amine
SMILESc1ccc(-c2cnc(NCC3CCCSC3)cn2)cc1
InChIInChI=1S/C16H19N3S/c1-2-6-14(7-3-1)15-10-19-16(11-17-15)18-9-13-5-4-8-20-12-13/h1-3,6-7,10-11,13H,4-5,8-9,12H2,(H,18,19)
InChIKeyQZEBDBCUSRUZPW-UHFFFAOYSA-N
XLogP3.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(thian-3-ylmethyl)pyrazin-2-amine?
The IUPAC name of 5-phenyl-N-(thian-3-ylmethyl)pyrazin-2-amine (CID 166225530) is 5-phenyl-N-(thian-3-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 5-phenyl-N-(thian-3-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 5-phenyl-N-(thian-3-ylmethyl)pyrazin-2-amine is c1ccc(-c2cnc(NCC3CCCSC3)cn2)cc1.
What is the InChIKey of 5-phenyl-N-(thian-3-ylmethyl)pyrazin-2-amine?
The InChIKey is QZEBDBCUSRUZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-2-6-14(7-3-1)15-10-19-16(11-17-15)18-9-13-5-4-8-20-12-13/h1-3,6-7,10-11,13H,4-5,8-9,12H2,(H,18,19).
What are the key properties of 5-phenyl-N-(thian-3-ylmethyl)pyrazin-2-amine?
5-phenyl-N-(thian-3-ylmethyl)pyrazin-2-amine has a molecular weight of 285.42 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(thian-3-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 166225530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).