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

C9H11N5S — CID 80845677

IUPAC6-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine
SMILESCNc1cncc(NCc2cscn2)n1
InChIInChI=1S/C9H11N5S/c1-10-8-3-11-4-9(14-8)12-2-7-5-15-6-13-7/h3-6H,2H2,1H3,(H2,10,12,14)
InChIKeyUSZLJHMIFQAVRX-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.59
Rot. Bonds4

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

6-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine (PubChem CID 80845677) has the molecular formula C9H11N5S and a molecular weight of 221.29 g/mol. Its IUPAC name is 6-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine
PubChem CID80845677
Molecular FormulaC9H11N5S
Molecular Weight221.29 g/mol
Exact Mass221.07
IUPAC Name6-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine
SMILESCNc1cncc(NCc2cscn2)n1
InChIInChI=1S/C9H11N5S/c1-10-8-3-11-4-9(14-8)12-2-7-5-15-6-13-7/h3-6H,2H2,1H3,(H2,10,12,14)
InChIKeyUSZLJHMIFQAVRX-UHFFFAOYSA-N
XLogP1.59
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine?
The IUPAC name of 6-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine (CID 80845677) is 6-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine?
The canonical SMILES for 6-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine is CNc1cncc(NCc2cscn2)n1.
What is the InChIKey of 6-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine?
The InChIKey is USZLJHMIFQAVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S/c1-10-8-3-11-4-9(14-8)12-2-7-5-15-6-13-7/h3-6H,2H2,1H3,(H2,10,12,14).
What are the key properties of 6-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine?
6-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine has a molecular weight of 221.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine is sourced from PubChem (CID 80845677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).