3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-2-methylpropanenitrile

C9H14N4S — CID 65272261

IUPAC3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-2-methylpropanenitrile
SMILESCCc1nsc(N(C)CC(C)C#N)n1
InChIInChI=1S/C9H14N4S/c1-4-8-11-9(14-12-8)13(3)6-7(2)5-10/h7H,4,6H2,1-3H3
InChIKeyLHYZUDNHYTXGJF-UHFFFAOYSA-N
MW210.31 g/mol
LogP1.70
Rot. Bonds4

About 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-2-methylpropanenitrile

3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-2-methylpropanenitrile (PubChem CID 65272261) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-2-methylpropanenitrile
PubChem CID65272261
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-2-methylpropanenitrile
SMILESCCc1nsc(N(C)CC(C)C#N)n1
InChIInChI=1S/C9H14N4S/c1-4-8-11-9(14-12-8)13(3)6-7(2)5-10/h7H,4,6H2,1-3H3
InChIKeyLHYZUDNHYTXGJF-UHFFFAOYSA-N
XLogP1.70
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-2-methylpropanenitrile (CID 65272261) is 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-2-methylpropanenitrile is CCc1nsc(N(C)CC(C)C#N)n1.
What is the InChIKey of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-2-methylpropanenitrile?
The InChIKey is LHYZUDNHYTXGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-4-8-11-9(14-12-8)13(3)6-7(2)5-10/h7H,4,6H2,1-3H3.
What are the key properties of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-2-methylpropanenitrile?
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-2-methylpropanenitrile has a molecular weight of 210.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 65272261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).