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

C10H13N5S — CID 78990072

IUPAC6-N-ethyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine
SMILESCCNc1cncc(NCc2cscn2)n1
InChIInChI=1S/C10H13N5S/c1-2-12-9-4-11-5-10(15-9)13-3-8-6-16-7-14-8/h4-7H,2-3H2,1H3,(H2,12,13,15)
InChIKeyLEQLHYJVKHADMR-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.98
Rot. Bonds5

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

6-N-ethyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine (PubChem CID 78990072) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 6-N-ethyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine
PubChem CID78990072
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name6-N-ethyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine
SMILESCCNc1cncc(NCc2cscn2)n1
InChIInChI=1S/C10H13N5S/c1-2-12-9-4-11-5-10(15-9)13-3-8-6-16-7-14-8/h4-7H,2-3H2,1H3,(H2,12,13,15)
InChIKeyLEQLHYJVKHADMR-UHFFFAOYSA-N
XLogP1.98
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine?
The IUPAC name of 6-N-ethyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine (CID 78990072) is 6-N-ethyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine is CCNc1cncc(NCc2cscn2)n1.
What is the InChIKey of 6-N-ethyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine?
The InChIKey is LEQLHYJVKHADMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-2-12-9-4-11-5-10(15-9)13-3-8-6-16-7-14-8/h4-7H,2-3H2,1H3,(H2,12,13,15).
What are the key properties of 6-N-ethyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine?
6-N-ethyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine has a molecular weight of 235.32 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine is sourced from PubChem (CID 78990072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).