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

C8H12N4S — CID 65209710

IUPAC2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile
SMILESCc1nnc(N(C)CC(C)C#N)s1
InChIInChI=1S/C8H12N4S/c1-6(4-9)5-12(3)8-11-10-7(2)13-8/h6H,5H2,1-3H3
InChIKeyCEHGRXZOFOCCSB-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.44
Rot. Bonds3

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

2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile (PubChem CID 65209710) has the molecular formula C8H12N4S and a molecular weight of 196.28 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile
PubChem CID65209710
Molecular FormulaC8H12N4S
Molecular Weight196.28 g/mol
Exact Mass196.08
IUPAC Name2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile
SMILESCc1nnc(N(C)CC(C)C#N)s1
InChIInChI=1S/C8H12N4S/c1-6(4-9)5-12(3)8-11-10-7(2)13-8/h6H,5H2,1-3H3
InChIKeyCEHGRXZOFOCCSB-UHFFFAOYSA-N
XLogP1.44
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-Cyanoethyl)(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile
CID 652556
3-[Ethyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-methylpropanenitrile
CID 113586944
3-[2-Methylpropyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanenitrile
CID 113586945
3-[Methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanenitrile
CID 114448026
2-Methyl-3-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanenitrile
CID 114448267
3-[Ethyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]propanenitrile
CID 114449524
3-[But-3-ynyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile
CID 3160833
N,N-bis(2-isocyanoethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 59034804
N-(2-isocyanoethyl)-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 59034813
3-[Methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile
CID 65209653
N,5-dimethyl-N-propyl-1,3,4-thiadiazol-2-amine
CID 130743882
N-butyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 142857318

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile?
The IUPAC name of 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile (CID 65209710) is 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile?
The canonical SMILES for 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile is Cc1nnc(N(C)CC(C)C#N)s1.
What is the InChIKey of 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile?
The InChIKey is CEHGRXZOFOCCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4S/c1-6(4-9)5-12(3)8-11-10-7(2)13-8/h6H,5H2,1-3H3.
What are the key properties of 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile?
2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile has a molecular weight of 196.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile is sourced from PubChem (CID 65209710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).