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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Related Compounds

2-(cyclopropylamino)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methylpentanenitrile
CID 106924810
4-[(3-bromo-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)-2-methylpentanenitrile
CID 64712154
4-(1H-benzimidazol-2-ylsulfanyl)-2-(cyclopropylamino)-2-methylpentanenitrile
CID 64712113
2-methyl-2-(propylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64806828
2-methyl-2-(methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid
CID 64709549
2-(cyclopropylamino)-4-(3-hydroxypropylsulfanyl)-2-methylpentanenitrile
CID 66127896
2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylpentanenitrile
CID 64711751
2-(ethylamino)-2-methyl-4-(1,3-thiazol-2-ylsulfanyl)pentanenitrile
CID 64709604
2-(cyclopropylamino)-2-methyl-4-(4-methylpyrazol-1-yl)pentanenitrile
CID 64726150
2-(cyclopropylamino)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-methylpentanenitrile
CID 64727539
2-[4-cyano-4-(cyclopropylamino)pentan-2-yl]sulfanyl-N-ethylacetamide
CID 114234312
2-(cyclopropylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile
CID 64727208

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).