2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanenitrile

C9H12N4OS — CID 63907629

IUPAC2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanenitrile
SMILESCc1nnc(SCC(N)(C#N)C2CC2)o1
InChIInChI=1S/C9H12N4OS/c1-6-12-13-8(14-6)15-5-9(11,4-10)7-2-3-7/h7H,2-3,5,11H2,1H3
InChIKeyWKVPRSRYORLOSD-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.10
Rot. Bonds4

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

2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanenitrile (PubChem CID 63907629) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanenitrile.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanenitrile
PubChem CID63907629
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanenitrile
SMILESCc1nnc(SCC(N)(C#N)C2CC2)o1
InChIInChI=1S/C9H12N4OS/c1-6-12-13-8(14-6)15-5-9(11,4-10)7-2-3-7/h7H,2-3,5,11H2,1H3
InChIKeyWKVPRSRYORLOSD-UHFFFAOYSA-N
XLogP1.10
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanenitrile?
The IUPAC name of 2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanenitrile (CID 63907629) is 2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanenitrile.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanenitrile?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanenitrile is Cc1nnc(SCC(N)(C#N)C2CC2)o1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanenitrile?
The InChIKey is WKVPRSRYORLOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-6-12-13-8(14-6)15-5-9(11,4-10)7-2-3-7/h7H,2-3,5,11H2,1H3.
What are the key properties of 2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanenitrile?
2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanenitrile has a molecular weight of 224.29 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanenitrile is sourced from PubChem (CID 63907629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).