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

C11H15N5S — CID 80846470

IUPAC6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine
SMILESCCCNc1cncc(NCc2cscn2)n1
InChIInChI=1S/C11H15N5S/c1-2-3-13-10-5-12-6-11(16-10)14-4-9-7-17-8-15-9/h5-8H,2-4H2,1H3,(H2,13,14,16)
InChIKeyJDZBXLVYADEQBN-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.37
Rot. Bonds6

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

6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine (PubChem CID 80846470) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine
PubChem CID80846470
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine
SMILESCCCNc1cncc(NCc2cscn2)n1
InChIInChI=1S/C11H15N5S/c1-2-3-13-10-5-12-6-11(16-10)14-4-9-7-17-8-15-9/h5-8H,2-4H2,1H3,(H2,13,14,16)
InChIKeyJDZBXLVYADEQBN-UHFFFAOYSA-N
XLogP2.37
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine?
The IUPAC name of 6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine (CID 80846470) is 6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine?
The canonical SMILES for 6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine is CCCNc1cncc(NCc2cscn2)n1.
What is the InChIKey of 6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine?
The InChIKey is JDZBXLVYADEQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-2-3-13-10-5-12-6-11(16-10)14-4-9-7-17-8-15-9/h5-8H,2-4H2,1H3,(H2,13,14,16).
What are the key properties of 6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine?
6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine has a molecular weight of 249.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,6-diamine is sourced from PubChem (CID 80846470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).