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

C9H14N4S — CID 65209654

IUPAC3-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)c1nnc(C)s1
InChIInChI=1S/C9H14N4S/c1-4-13(6-7(2)5-10)9-12-11-8(3)14-9/h7H,4,6H2,1-3H3
InChIKeyBYDNPOUTYBFFFN-UHFFFAOYSA-N
MW210.31 g/mol
LogP1.83
Rot. Bonds4

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

3-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpropanenitrile (PubChem CID 65209654) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is 3-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpropanenitrile
PubChem CID65209654
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name3-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)c1nnc(C)s1
InChIInChI=1S/C9H14N4S/c1-4-13(6-7(2)5-10)9-12-11-8(3)14-9/h7H,4,6H2,1-3H3
InChIKeyBYDNPOUTYBFFFN-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpropanenitrile (CID 65209654) is 3-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpropanenitrile is CCN(CC(C)C#N)c1nnc(C)s1.
What is the InChIKey of 3-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpropanenitrile?
The InChIKey is BYDNPOUTYBFFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-4-13(6-7(2)5-10)9-12-11-8(3)14-9/h7H,4,6H2,1-3H3.
What are the key properties of 3-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpropanenitrile?
3-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpropanenitrile has a molecular weight of 210.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 65209654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).