5-(1,4-thiazepan-4-ylmethyl)pyrazin-2-amine

C10H16N4S — CID 103056205

IUPAC5-(1,4-thiazepan-4-ylmethyl)pyrazin-2-amine
SMILESNc1cnc(CN2CCCSCC2)cn1
InChIInChI=1S/C10H16N4S/c11-10-7-12-9(6-13-10)8-14-2-1-4-15-5-3-14/h6-7H,1-5,8H2,(H2,11,13)
InChIKeyCQIMYNJFKKQCJD-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.00
Rot. Bonds2

About 5-(1,4-thiazepan-4-ylmethyl)pyrazin-2-amine

5-(1,4-thiazepan-4-ylmethyl)pyrazin-2-amine (PubChem CID 103056205) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 5-(1,4-thiazepan-4-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(1,4-thiazepan-4-ylmethyl)pyrazin-2-amine
PubChem CID103056205
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name5-(1,4-thiazepan-4-ylmethyl)pyrazin-2-amine
SMILESNc1cnc(CN2CCCSCC2)cn1
InChIInChI=1S/C10H16N4S/c11-10-7-12-9(6-13-10)8-14-2-1-4-15-5-3-14/h6-7H,1-5,8H2,(H2,11,13)
InChIKeyCQIMYNJFKKQCJD-UHFFFAOYSA-N
XLogP1.00
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-thiazepan-4-ylmethyl)pyrazin-2-amine?
The IUPAC name of 5-(1,4-thiazepan-4-ylmethyl)pyrazin-2-amine (CID 103056205) is 5-(1,4-thiazepan-4-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 5-(1,4-thiazepan-4-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 5-(1,4-thiazepan-4-ylmethyl)pyrazin-2-amine is Nc1cnc(CN2CCCSCC2)cn1.
What is the InChIKey of 5-(1,4-thiazepan-4-ylmethyl)pyrazin-2-amine?
The InChIKey is CQIMYNJFKKQCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c11-10-7-12-9(6-13-10)8-14-2-1-4-15-5-3-14/h6-7H,1-5,8H2,(H2,11,13).
What are the key properties of 5-(1,4-thiazepan-4-ylmethyl)pyrazin-2-amine?
5-(1,4-thiazepan-4-ylmethyl)pyrazin-2-amine has a molecular weight of 224.33 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-thiazepan-4-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 103056205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).