5-[2-(5-chlorothiophen-2-yl)ethylamino]-2-(trifluoromethyl)benzonitrile

C14H10ClF3N2S — CID 106034929

IUPAC5-[2-(5-chlorothiophen-2-yl)ethylamino]-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(NCCc2ccc(Cl)s2)ccc1C(F)(F)F
InChIInChI=1S/C14H10ClF3N2S/c15-13-4-2-11(21-13)5-6-20-10-1-3-12(14(16,17)18)9(7-10)8-19/h1-4,7,20H,5-6H2
InChIKeyLCDVUTQTYQXPGQ-UHFFFAOYSA-N
MW330.76 g/mol
LogP4.95
Rot. Bonds4

About 5-[2-(5-chlorothiophen-2-yl)ethylamino]-2-(trifluoromethyl)benzonitrile

5-[2-(5-chlorothiophen-2-yl)ethylamino]-2-(trifluoromethyl)benzonitrile (PubChem CID 106034929) has the molecular formula C14H10ClF3N2S and a molecular weight of 330.76 g/mol. Its IUPAC name is 5-[2-(5-chlorothiophen-2-yl)ethylamino]-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name5-[2-(5-chlorothiophen-2-yl)ethylamino]-2-(trifluoromethyl)benzonitrile
PubChem CID106034929
Molecular FormulaC14H10ClF3N2S
Molecular Weight330.76 g/mol
Exact Mass330.02
IUPAC Name5-[2-(5-chlorothiophen-2-yl)ethylamino]-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(NCCc2ccc(Cl)s2)ccc1C(F)(F)F
InChIInChI=1S/C14H10ClF3N2S/c15-13-4-2-11(21-13)5-6-20-10-1-3-12(14(16,17)18)9(7-10)8-19/h1-4,7,20H,5-6H2
InChIKeyLCDVUTQTYQXPGQ-UHFFFAOYSA-N
XLogP4.95
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.76
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chlorothiophen-2-yl)methylamino]benzene-1,2-dicarbonitrile
CID 107788463
4-[2-(5-chlorothiophen-2-yl)ethylamino]-2,3-difluorobenzonitrile
CID 106034926
3-[2-(5-chlorothiophen-2-yl)ethylamino]-5-fluorobenzonitrile
CID 106034984
4-N-[2-(5-chlorothiophen-2-yl)ethyl]benzene-1,2,4-triamine
CID 106037251
5-(pent-4-ynylamino)-2-(trifluoromethyl)benzonitrile
CID 113459943
4-bromo-2-[2-(5-chlorothiophen-2-yl)ethylamino]benzonitrile
CID 106034976
5-(2,2-dimethylbutylamino)-2-(trifluoromethyl)benzonitrile
CID 103461766
5-(3-hydroxypentylamino)-2-(trifluoromethyl)benzonitrile
CID 104844156
5-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-(trifluoromethyl)benzonitrile
CID 115360432
5-(2-ethylsulfinylethylamino)-2-(trifluoromethyl)benzonitrile
CID 104843765
3-[2-(5-chlorothiophen-2-yl)ethylamino]pyridazine-4-carbonitrile
CID 106034912
5-(3-methylpentan-3-ylamino)-2-(trifluoromethyl)benzonitrile
CID 106328917

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-chlorothiophen-2-yl)ethylamino]-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 5-[2-(5-chlorothiophen-2-yl)ethylamino]-2-(trifluoromethyl)benzonitrile (CID 106034929) is 5-[2-(5-chlorothiophen-2-yl)ethylamino]-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 5-[2-(5-chlorothiophen-2-yl)ethylamino]-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 5-[2-(5-chlorothiophen-2-yl)ethylamino]-2-(trifluoromethyl)benzonitrile is N#Cc1cc(NCCc2ccc(Cl)s2)ccc1C(F)(F)F.
What is the InChIKey of 5-[2-(5-chlorothiophen-2-yl)ethylamino]-2-(trifluoromethyl)benzonitrile?
The InChIKey is LCDVUTQTYQXPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2S/c15-13-4-2-11(21-13)5-6-20-10-1-3-12(14(16,17)18)9(7-10)8-19/h1-4,7,20H,5-6H2.
What are the key properties of 5-[2-(5-chlorothiophen-2-yl)ethylamino]-2-(trifluoromethyl)benzonitrile?
5-[2-(5-chlorothiophen-2-yl)ethylamino]-2-(trifluoromethyl)benzonitrile has a molecular weight of 330.76 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-chlorothiophen-2-yl)ethylamino]-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 106034929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).