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

C11H19N5S — CID 62183362

IUPAC2-methyl-3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]propanenitrile
SMILESCCCNc1snnc1CN(C)CC(C)C#N
InChIInChI=1S/C11H19N5S/c1-4-5-13-11-10(14-15-17-11)8-16(3)7-9(2)6-12/h9,13H,4-5,7-8H2,1-3H3
InChIKeyJWPKTVSMTUFJGP-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.95
Rot. Bonds7

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

2-methyl-3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]propanenitrile (PubChem CID 62183362) has the molecular formula C11H19N5S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]propanenitrile
PubChem CID62183362
Molecular FormulaC11H19N5S
Molecular Weight253.37 g/mol
Exact Mass253.14
IUPAC Name2-methyl-3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]propanenitrile
SMILESCCCNc1snnc1CN(C)CC(C)C#N
InChIInChI=1S/C11H19N5S/c1-4-5-13-11-10(14-15-17-11)8-16(3)7-9(2)6-12/h9,13H,4-5,7-8H2,1-3H3
InChIKeyJWPKTVSMTUFJGP-UHFFFAOYSA-N
XLogP1.95
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]propanenitrile?
The IUPAC name of 2-methyl-3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]propanenitrile (CID 62183362) is 2-methyl-3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]propanenitrile?
The canonical SMILES for 2-methyl-3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]propanenitrile is CCCNc1snnc1CN(C)CC(C)C#N.
What is the InChIKey of 2-methyl-3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]propanenitrile?
The InChIKey is JWPKTVSMTUFJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5S/c1-4-5-13-11-10(14-15-17-11)8-16(3)7-9(2)6-12/h9,13H,4-5,7-8H2,1-3H3.
What are the key properties of 2-methyl-3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]propanenitrile?
2-methyl-3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]propanenitrile has a molecular weight of 253.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]propanenitrile is sourced from PubChem (CID 62183362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).