3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2,4-dicarbonitrile

C14H11FN4S — CID 103425701

IUPAC3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2,4-dicarbonitrile
SMILESN#Cc1sc(NCCc2ccccc2F)c(C#N)c1N
InChIInChI=1S/C14H11FN4S/c15-11-4-2-1-3-9(11)5-6-19-14-10(7-16)13(18)12(8-17)20-14/h1-4,19H,5-6,18H2
InChIKeySRXWNXGMQYEADW-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.87
Rot. Bonds4

About 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2,4-dicarbonitrile

3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2,4-dicarbonitrile (PubChem CID 103425701) has the molecular formula C14H11FN4S and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2,4-dicarbonitrile
PubChem CID103425701
Molecular FormulaC14H11FN4S
Molecular Weight286.34 g/mol
Exact Mass286.07
IUPAC Name3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2,4-dicarbonitrile
SMILESN#Cc1sc(NCCc2ccccc2F)c(C#N)c1N
InChIInChI=1S/C14H11FN4S/c15-11-4-2-1-3-9(11)5-6-19-14-10(7-16)13(18)12(8-17)20-14/h1-4,19H,5-6,18H2
InChIKeySRXWNXGMQYEADW-UHFFFAOYSA-N
XLogP2.87
TPSA85.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Fluoro-6-[(2-thienylmethyl)amino]benzonitrile
CID 566162
4-(4-Fluorophenyl)-2-(methylamino)thiophene-3-carbonitrile
CID 44392699
2-[(2-Fluorophenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 956443
2-[(3,4-Difluorophenyl)methylamino]thiophene-3-carbonitrile
CID 83308262
2-[(3,5-Difluorophenyl)methylamino]thiophene-3-carbonitrile
CID 83308264
2-[(3-Fluorophenyl)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 142732487
2-[(4-Fluorophenyl)methylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
CID 142732511
4-(Benzylamino)-5-propyl-2-[4-(trifluoromethyl)phenyl]thiophene-3-carbonitrile
CID 175025043
2-(Benzylamino)-4,5-dimethylthiophene-3-carbonitrile
CID 319451
2-(Benzylamino)thiophene-3-carbonitrile
CID 82674431
3-Amino-5-((4-fluorophenyl)amino)thiophene-2,4-dicarbonitrile
CID 911873
2-[(4-Fluorophenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 956449

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2,4-dicarbonitrile?
The IUPAC name of 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2,4-dicarbonitrile (CID 103425701) is 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2,4-dicarbonitrile.
What is the SMILES notation for 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2,4-dicarbonitrile?
The canonical SMILES for 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2,4-dicarbonitrile is N#Cc1sc(NCCc2ccccc2F)c(C#N)c1N.
What is the InChIKey of 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2,4-dicarbonitrile?
The InChIKey is SRXWNXGMQYEADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4S/c15-11-4-2-1-3-9(11)5-6-19-14-10(7-16)13(18)12(8-17)20-14/h1-4,19H,5-6,18H2.
What are the key properties of 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2,4-dicarbonitrile?
3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2,4-dicarbonitrile has a molecular weight of 286.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2,4-dicarbonitrile is sourced from PubChem (CID 103425701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).