2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanenitrile

C11H16N4S2 — CID 64709200

IUPAC2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanenitrile
SMILESCC(CC(C)(C#N)NC1CC1)Sc1nncs1
InChIInChI=1S/C11H16N4S2/c1-8(17-10-15-13-7-16-10)5-11(2,6-12)14-9-3-4-9/h7-9,14H,3-5H2,1-2H3
InChIKeyVKFWFSYTLBPMMZ-UHFFFAOYSA-N
MW268.41 g/mol
LogP2.44
Rot. Bonds6

About 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanenitrile

2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanenitrile (PubChem CID 64709200) has the molecular formula C11H16N4S2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanenitrile
PubChem CID64709200
Molecular FormulaC11H16N4S2
Molecular Weight268.41 g/mol
Exact Mass268.08
IUPAC Name2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanenitrile
SMILESCC(CC(C)(C#N)NC1CC1)Sc1nncs1
InChIInChI=1S/C11H16N4S2/c1-8(17-10-15-13-7-16-10)5-11(2,6-12)14-9-3-4-9/h7-9,14H,3-5H2,1-2H3
InChIKeyVKFWFSYTLBPMMZ-UHFFFAOYSA-N
XLogP2.44
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanenitrile (CID 64709200) is 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanenitrile is CC(CC(C)(C#N)NC1CC1)Sc1nncs1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanenitrile?
The InChIKey is VKFWFSYTLBPMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S2/c1-8(17-10-15-13-7-16-10)5-11(2,6-12)14-9-3-4-9/h7-9,14H,3-5H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanenitrile?
2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanenitrile has a molecular weight of 268.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanenitrile is sourced from PubChem (CID 64709200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).