2-cyclopropyl-2-(propylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propanenitrile

C16H20N4S — CID 63907732

IUPAC2-cyclopropyl-2-(propylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propanenitrile
SMILESCCCNC(C#N)(Cn1ccnc1-c1cccs1)C1CC1
InChIInChI=1S/C16H20N4S/c1-2-7-19-16(11-17,13-5-6-13)12-20-9-8-18-15(20)14-4-3-10-21-14/h3-4,8-10,13,19H,2,5-7,12H2,1H3
InChIKeySSPBNWHSVPDKEX-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.28
Rot. Bonds7

About 2-cyclopropyl-2-(propylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propanenitrile

2-cyclopropyl-2-(propylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propanenitrile (PubChem CID 63907732) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-cyclopropyl-2-(propylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(propylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propanenitrile
PubChem CID63907732
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name2-cyclopropyl-2-(propylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propanenitrile
SMILESCCCNC(C#N)(Cn1ccnc1-c1cccs1)C1CC1
InChIInChI=1S/C16H20N4S/c1-2-7-19-16(11-17,13-5-6-13)12-20-9-8-18-15(20)14-4-3-10-21-14/h3-4,8-10,13,19H,2,5-7,12H2,1H3
InChIKeySSPBNWHSVPDKEX-UHFFFAOYSA-N
XLogP3.28
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(propylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(propylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propanenitrile (CID 63907732) is 2-cyclopropyl-2-(propylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(propylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(propylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propanenitrile is CCCNC(C#N)(Cn1ccnc1-c1cccs1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(propylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propanenitrile?
The InChIKey is SSPBNWHSVPDKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-2-7-19-16(11-17,13-5-6-13)12-20-9-8-18-15(20)14-4-3-10-21-14/h3-4,8-10,13,19H,2,5-7,12H2,1H3.
What are the key properties of 2-cyclopropyl-2-(propylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propanenitrile?
2-cyclopropyl-2-(propylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propanenitrile has a molecular weight of 300.43 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(propylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propanenitrile is sourced from PubChem (CID 63907732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).