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

C10H16N4S — CID 65209767

IUPAC3-[2-methylpropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile
SMILESCc1nnc(N(CCC#N)CC(C)C)s1
InChIInChI=1S/C10H16N4S/c1-8(2)7-14(6-4-5-11)10-13-12-9(3)15-10/h8H,4,6-7H2,1-3H3
InChIKeyHOYBJTRTDFPXBL-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.22
Rot. Bonds5

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

3-[2-methylpropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile (PubChem CID 65209767) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-[2-methylpropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methylpropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile
PubChem CID65209767
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name3-[2-methylpropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile
SMILESCc1nnc(N(CCC#N)CC(C)C)s1
InChIInChI=1S/C10H16N4S/c1-8(2)7-14(6-4-5-11)10-13-12-9(3)15-10/h8H,4,6-7H2,1-3H3
InChIKeyHOYBJTRTDFPXBL-UHFFFAOYSA-N
XLogP2.22
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile?
The IUPAC name of 3-[2-methylpropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile (CID 65209767) is 3-[2-methylpropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile.
What is the SMILES notation for 3-[2-methylpropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile?
The canonical SMILES for 3-[2-methylpropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile is Cc1nnc(N(CCC#N)CC(C)C)s1.
What is the InChIKey of 3-[2-methylpropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile?
The InChIKey is HOYBJTRTDFPXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-8(2)7-14(6-4-5-11)10-13-12-9(3)15-10/h8H,4,6-7H2,1-3H3.
What are the key properties of 3-[2-methylpropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile?
3-[2-methylpropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile has a molecular weight of 224.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile is sourced from PubChem (CID 65209767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).