5-chloro-2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carbonitrile

C15H13ClN2S — CID 115349222

IUPAC5-chloro-2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carbonitrile
SMILESN#CC1(NCc2cccs2)Cc2ccc(Cl)cc2C1
InChIInChI=1S/C15H13ClN2S/c16-13-4-3-11-7-15(10-17,8-12(11)6-13)18-9-14-2-1-5-19-14/h1-6,18H,7-9H2
InChIKeyIDCXZPSRFKGIOQ-UHFFFAOYSA-N
MW288.80 g/mol
LogP3.55
Rot. Bonds3

About 5-chloro-2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carbonitrile

5-chloro-2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carbonitrile (PubChem CID 115349222) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 5-chloro-2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carbonitrile.

Molecular Properties

Compound Name5-chloro-2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carbonitrile
PubChem CID115349222
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name5-chloro-2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carbonitrile
SMILESN#CC1(NCc2cccs2)Cc2ccc(Cl)cc2C1
InChIInChI=1S/C15H13ClN2S/c16-13-4-3-11-7-15(10-17,8-12(11)6-13)18-9-14-2-1-5-19-14/h1-6,18H,7-9H2
InChIKeyIDCXZPSRFKGIOQ-UHFFFAOYSA-N
XLogP3.55
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carbonitrile?
The IUPAC name of 5-chloro-2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carbonitrile (CID 115349222) is 5-chloro-2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carbonitrile.
What is the SMILES notation for 5-chloro-2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carbonitrile?
The canonical SMILES for 5-chloro-2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carbonitrile is N#CC1(NCc2cccs2)Cc2ccc(Cl)cc2C1.
What is the InChIKey of 5-chloro-2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carbonitrile?
The InChIKey is IDCXZPSRFKGIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c16-13-4-3-11-7-15(10-17,8-12(11)6-13)18-9-14-2-1-5-19-14/h1-6,18H,7-9H2.
What are the key properties of 5-chloro-2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carbonitrile?
5-chloro-2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carbonitrile has a molecular weight of 288.80 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carbonitrile is sourced from PubChem (CID 115349222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).