1-(4-methyl-1,2,5-thiadiazol-3-yl)ethenamine

C5H7N3S — CID 163876503

IUPAC1-(4-methyl-1,2,5-thiadiazol-3-yl)ethenamine
SMILESC=C(N)c1nsnc1C
InChIInChI=1S/C5H7N3S/c1-3(6)5-4(2)7-9-8-5/h1,6H2,2H3
InChIKeyPPIPXUPUOBIDNR-UHFFFAOYSA-N
MW141.20 g/mol
LogP0.78
Rot. Bonds1

About 1-(4-methyl-1,2,5-thiadiazol-3-yl)ethenamine

1-(4-methyl-1,2,5-thiadiazol-3-yl)ethenamine (PubChem CID 163876503) has the molecular formula C5H7N3S and a molecular weight of 141.20 g/mol. Its IUPAC name is 1-(4-methyl-1,2,5-thiadiazol-3-yl)ethenamine.

Molecular Properties

Compound Name1-(4-methyl-1,2,5-thiadiazol-3-yl)ethenamine
PubChem CID163876503
Molecular FormulaC5H7N3S
Molecular Weight141.20 g/mol
Exact Mass141.04
IUPAC Name1-(4-methyl-1,2,5-thiadiazol-3-yl)ethenamine
SMILESC=C(N)c1nsnc1C
InChIInChI=1S/C5H7N3S/c1-3(6)5-4(2)7-9-8-5/h1,6H2,2H3
InChIKeyPPIPXUPUOBIDNR-UHFFFAOYSA-N
XLogP0.78
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.20
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,2,5-thiadiazol-3-yl)ethenamine?
The IUPAC name of 1-(4-methyl-1,2,5-thiadiazol-3-yl)ethenamine (CID 163876503) is 1-(4-methyl-1,2,5-thiadiazol-3-yl)ethenamine.
What is the SMILES notation for 1-(4-methyl-1,2,5-thiadiazol-3-yl)ethenamine?
The canonical SMILES for 1-(4-methyl-1,2,5-thiadiazol-3-yl)ethenamine is C=C(N)c1nsnc1C.
What is the InChIKey of 1-(4-methyl-1,2,5-thiadiazol-3-yl)ethenamine?
The InChIKey is PPIPXUPUOBIDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S/c1-3(6)5-4(2)7-9-8-5/h1,6H2,2H3.
What are the key properties of 1-(4-methyl-1,2,5-thiadiazol-3-yl)ethenamine?
1-(4-methyl-1,2,5-thiadiazol-3-yl)ethenamine has a molecular weight of 141.20 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,2,5-thiadiazol-3-yl)ethenamine is sourced from PubChem (CID 163876503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).