5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine

C11H15N5S2 — CID 103059972

IUPAC5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(CSc2nnc(C)s2)cn1
InChIInChI=1S/C11H15N5S2/c1-3-4-12-10-6-13-9(5-14-10)7-17-11-16-15-8(2)18-11/h5-6H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyCPMYJQWMTSPVGN-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.75
Rot. Bonds6

About 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine

5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine (PubChem CID 103059972) has the molecular formula C11H15N5S2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine
PubChem CID103059972
Molecular FormulaC11H15N5S2
Molecular Weight281.41 g/mol
Exact Mass281.08
IUPAC Name5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(CSc2nnc(C)s2)cn1
InChIInChI=1S/C11H15N5S2/c1-3-4-12-10-6-13-9(5-14-10)7-17-11-16-15-8(2)18-11/h5-6H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyCPMYJQWMTSPVGN-UHFFFAOYSA-N
XLogP2.75
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine?
The IUPAC name of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine (CID 103059972) is 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine.
What is the SMILES notation for 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine?
The canonical SMILES for 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine is CCCNc1cnc(CSc2nnc(C)s2)cn1.
What is the InChIKey of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine?
The InChIKey is CPMYJQWMTSPVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S2/c1-3-4-12-10-6-13-9(5-14-10)7-17-11-16-15-8(2)18-11/h5-6H,3-4,7H2,1-2H3,(H,12,14).
What are the key properties of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine?
5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine has a molecular weight of 281.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine is sourced from PubChem (CID 103059972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).