3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile

C7H10N4S — CID 65209653

IUPAC3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile
SMILESCc1nnc(N(C)CCC#N)s1
InChIInChI=1S/C7H10N4S/c1-6-9-10-7(12-6)11(2)5-3-4-8/h3,5H2,1-2H3
InChIKeyCVEHKGXJRZYYIC-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.20
Rot. Bonds3

About 3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile

3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile (PubChem CID 65209653) has the molecular formula C7H10N4S and a molecular weight of 182.25 g/mol. Its IUPAC name is 3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile
PubChem CID65209653
Molecular FormulaC7H10N4S
Molecular Weight182.25 g/mol
Exact Mass182.06
IUPAC Name3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile
SMILESCc1nnc(N(C)CCC#N)s1
InChIInChI=1S/C7H10N4S/c1-6-9-10-7(12-6)11(2)5-3-4-8/h3,5H2,1-2H3
InChIKeyCVEHKGXJRZYYIC-UHFFFAOYSA-N
XLogP1.20
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile?
The IUPAC name of 3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile (CID 65209653) is 3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile.
What is the SMILES notation for 3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile?
The canonical SMILES for 3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile is Cc1nnc(N(C)CCC#N)s1.
What is the InChIKey of 3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile?
The InChIKey is CVEHKGXJRZYYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4S/c1-6-9-10-7(12-6)11(2)5-3-4-8/h3,5H2,1-2H3.
What are the key properties of 3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile?
3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile has a molecular weight of 182.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile is sourced from PubChem (CID 65209653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).