2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile

C11H17N5S2 — CID 55242406

IUPAC2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile
SMILESCN(C)c1nnc(SCC(C)(C#N)NC2CC2)s1
InChIInChI=1S/C11H17N5S2/c1-11(6-12,13-8-4-5-8)7-17-10-15-14-9(18-10)16(2)3/h8,13H,4-5,7H2,1-3H3
InChIKeyOYIPLQAWKHCDGU-UHFFFAOYSA-N
MW283.43 g/mol
LogP1.73
Rot. Bonds6

About 2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile

2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile (PubChem CID 55242406) has the molecular formula C11H17N5S2 and a molecular weight of 283.43 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile
PubChem CID55242406
Molecular FormulaC11H17N5S2
Molecular Weight283.43 g/mol
Exact Mass283.09
IUPAC Name2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile
SMILESCN(C)c1nnc(SCC(C)(C#N)NC2CC2)s1
InChIInChI=1S/C11H17N5S2/c1-11(6-12,13-8-4-5-8)7-17-10-15-14-9(18-10)16(2)3/h8,13H,4-5,7H2,1-3H3
InChIKeyOYIPLQAWKHCDGU-UHFFFAOYSA-N
XLogP1.73
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile?
The IUPAC name of 2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile (CID 55242406) is 2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile is CN(C)c1nnc(SCC(C)(C#N)NC2CC2)s1.
What is the InChIKey of 2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile?
The InChIKey is OYIPLQAWKHCDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S2/c1-11(6-12,13-8-4-5-8)7-17-10-15-14-9(18-10)16(2)3/h8,13H,4-5,7H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile?
2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile has a molecular weight of 283.43 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile is sourced from PubChem (CID 55242406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).