2-(propylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanenitrile

C9H14N4S2 — CID 63055136

IUPAC2-(propylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanenitrile
SMILESCCCNC(C#N)CCSc1nncs1
InChIInChI=1S/C9H14N4S2/c1-2-4-11-8(6-10)3-5-14-9-13-12-7-15-9/h7-8,11H,2-5H2,1H3
InChIKeyGHTLFRVIEOVMLI-UHFFFAOYSA-N
MW242.37 g/mol
LogP1.91
Rot. Bonds7

About 2-(propylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanenitrile

2-(propylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanenitrile (PubChem CID 63055136) has the molecular formula C9H14N4S2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-(propylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanenitrile.

Molecular Properties

Compound Name2-(propylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanenitrile
PubChem CID63055136
Molecular FormulaC9H14N4S2
Molecular Weight242.37 g/mol
Exact Mass242.07
IUPAC Name2-(propylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanenitrile
SMILESCCCNC(C#N)CCSc1nncs1
InChIInChI=1S/C9H14N4S2/c1-2-4-11-8(6-10)3-5-14-9-13-12-7-15-9/h7-8,11H,2-5H2,1H3
InChIKeyGHTLFRVIEOVMLI-UHFFFAOYSA-N
XLogP1.91
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanenitrile?
The IUPAC name of 2-(propylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanenitrile (CID 63055136) is 2-(propylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanenitrile.
What is the SMILES notation for 2-(propylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanenitrile?
The canonical SMILES for 2-(propylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanenitrile is CCCNC(C#N)CCSc1nncs1.
What is the InChIKey of 2-(propylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanenitrile?
The InChIKey is GHTLFRVIEOVMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S2/c1-2-4-11-8(6-10)3-5-14-9-13-12-7-15-9/h7-8,11H,2-5H2,1H3.
What are the key properties of 2-(propylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanenitrile?
2-(propylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanenitrile has a molecular weight of 242.37 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butanenitrile is sourced from PubChem (CID 63055136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).