2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanenitrile

C12H20N4OS — CID 64710968

IUPAC2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanenitrile
SMILESCc1nnc(SC(C)CC(C)(C#N)NC(C)C)o1
InChIInChI=1S/C12H20N4OS/c1-8(2)14-12(5,7-13)6-9(3)18-11-16-15-10(4)17-11/h8-9,14H,6H2,1-5H3
InChIKeyBXHWHIJXQZEMQS-UHFFFAOYSA-N
MW268.39 g/mol
LogP2.53
Rot. Bonds6

About 2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanenitrile

2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanenitrile (PubChem CID 64710968) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanenitrile
PubChem CID64710968
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanenitrile
SMILESCc1nnc(SC(C)CC(C)(C#N)NC(C)C)o1
InChIInChI=1S/C12H20N4OS/c1-8(2)14-12(5,7-13)6-9(3)18-11-16-15-10(4)17-11/h8-9,14H,6H2,1-5H3
InChIKeyBXHWHIJXQZEMQS-UHFFFAOYSA-N
XLogP2.53
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-(propan-2-ylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpentanenitrile
CID 65043615
2-methyl-4-(2-methylfuran-3-yl)sulfanyl-2-(propan-2-ylamino)pentanenitrile
CID 107781707
2-methyl-2-(methylamino)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentanamide
CID 64705307
2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanenitrile
CID 64711954
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-ol
CID 126976025
2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpentanenitrile
CID 106924810
2-(ethylamino)-2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pentanenitrile
CID 62255452
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoic acid
CID 62255415
4-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64711174
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 106924815
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-2-(methylamino)pentanenitrile
CID 64709621
4-(dimethylamino)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64727261

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanenitrile (CID 64710968) is 2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanenitrile is Cc1nnc(SC(C)CC(C)(C#N)NC(C)C)o1.
What is the InChIKey of 2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is BXHWHIJXQZEMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-8(2)14-12(5,7-13)6-9(3)18-11-16-15-10(4)17-11/h8-9,14H,6H2,1-5H3.
What are the key properties of 2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanenitrile?
2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 268.39 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 64710968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).