2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine

C8H9N5S — CID 78988860

IUPAC2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine
SMILESNc1cncc(NCc2cscn2)n1
InChIInChI=1S/C8H9N5S/c9-7-2-10-3-8(13-7)11-1-6-4-14-5-12-6/h2-5H,1H2,(H3,9,11,13)
InChIKeyRVQMEPJAWQPTSK-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.13
Rot. Bonds3

About 2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine

2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine (PubChem CID 78988860) has the molecular formula C8H9N5S and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine
PubChem CID78988860
Molecular FormulaC8H9N5S
Molecular Weight207.26 g/mol
Exact Mass207.06
IUPAC Name2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine
SMILESNc1cncc(NCc2cscn2)n1
InChIInChI=1S/C8H9N5S/c9-7-2-10-3-8(13-7)11-1-6-4-14-5-12-6/h2-5H,1H2,(H3,9,11,13)
InChIKeyRVQMEPJAWQPTSK-UHFFFAOYSA-N
XLogP1.13
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine?
The IUPAC name of 2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine (CID 78988860) is 2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine?
The canonical SMILES for 2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine is Nc1cncc(NCc2cscn2)n1.
What is the InChIKey of 2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine?
The InChIKey is RVQMEPJAWQPTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S/c9-7-2-10-3-8(13-7)11-1-6-4-14-5-12-6/h2-5H,1H2,(H3,9,11,13).
What are the key properties of 2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine?
2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine has a molecular weight of 207.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine is sourced from PubChem (CID 78988860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).