4-amino-2-(4-fluoroanilino)-5-(4-fluorobenzoyl)thiophene-3-carbonitrile

C18H11F2N3OS — CID 1086388

IUPAC4-amino-2-(4-fluoroanilino)-5-(4-fluorobenzoyl)thiophene-3-carbonitrile
SMILESN#Cc1c(Nc2ccc(F)cc2)sc(C(=O)c2ccc(F)cc2)c1N
InChIInChI=1S/C18H11F2N3OS/c19-11-3-1-10(2-4-11)16(24)17-15(22)14(9-21)18(25-17)23-13-7-5-12(20)6-8-13/h1-8,23H,22H2
InChIKeyTWBXPXSVVHUWOW-UHFFFAOYSA-N
MW355.37 g/mol
LogP4.45
Rot. Bonds4

About 4-amino-2-(4-fluoroanilino)-5-(4-fluorobenzoyl)thiophene-3-carbonitrile

4-amino-2-(4-fluoroanilino)-5-(4-fluorobenzoyl)thiophene-3-carbonitrile (PubChem CID 1086388) has the molecular formula C18H11F2N3OS and a molecular weight of 355.37 g/mol. Its IUPAC name is 4-amino-2-(4-fluoroanilino)-5-(4-fluorobenzoyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(4-fluoroanilino)-5-(4-fluorobenzoyl)thiophene-3-carbonitrile
PubChem CID1086388
Molecular FormulaC18H11F2N3OS
Molecular Weight355.37 g/mol
Exact Mass355.06
IUPAC Name4-amino-2-(4-fluoroanilino)-5-(4-fluorobenzoyl)thiophene-3-carbonitrile
SMILESN#Cc1c(Nc2ccc(F)cc2)sc(C(=O)c2ccc(F)cc2)c1N
InChIInChI=1S/C18H11F2N3OS/c19-11-3-1-10(2-4-11)16(24)17-15(22)14(9-21)18(25-17)23-13-7-5-12(20)6-8-13/h1-8,23H,22H2
InChIKeyTWBXPXSVVHUWOW-UHFFFAOYSA-N
XLogP4.45
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_B(12)', 'substructure': 'N/A'}

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Related Compounds

4-Amino-2-anilino-5-benzoyl-3-thiophenecarbonitrile
CID 1479382
4-Amino-2-[(4-fluorophenyl)amino]-5-[(4-methylphenyl)carbonyl]thiophene-3-carbonitrile
CID 1507591
4-Amino-5-(4-fluoro-benzoyl)-2-phenylamino-thiophene-3-carbonitrile
CID 902385
[3-Amino-5-anilino-4-(phenylsulfonyl)-2-thienyl](phenyl)methanone
CID 1226928
4-Amino-5-[(4-methylphenyl)-oxomethyl]-2-(prop-2-enylamino)-3-thiophenecarbonitrile
CID 1841174
2-Allylamino-4-amino-5-benzoyl-thiophene-3-carbonitrile
CID 1963940
(3-Amino-5-((2,5-difluorophenyl)amino)-4-tosylthiophen-2-yl)(4-fluorophenyl)methanone
CID 15988458
[3-Amino-4-(methylsulfonyl)-5-(2-toluidino)-2-thienyl](phenyl)methanone
CID 16012485
5-(4-Fluorobenzoyl)-3-(4-methylbenzenesulfonyl)-N2-(4-methylphenyl)thiophene-2,4-diamine
CID 16028940
4-Amino-5-(5-chlorothiophene-2-carbonyl)-2-(2-fluoroanilino)thiophene-3-carbonitrile
CID 155540962
4-Amino-5-(4-chlorobenzoyl)-2-[(3-fluorophenyl)amino]thiophene-3-carbonitrile
CID 1511922
1-(2-Anilino-5-benzoyl-3-thienyl)ethanone
CID 867792

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-fluoroanilino)-5-(4-fluorobenzoyl)thiophene-3-carbonitrile?
The IUPAC name of 4-amino-2-(4-fluoroanilino)-5-(4-fluorobenzoyl)thiophene-3-carbonitrile (CID 1086388) is 4-amino-2-(4-fluoroanilino)-5-(4-fluorobenzoyl)thiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-2-(4-fluoroanilino)-5-(4-fluorobenzoyl)thiophene-3-carbonitrile?
The canonical SMILES for 4-amino-2-(4-fluoroanilino)-5-(4-fluorobenzoyl)thiophene-3-carbonitrile is N#Cc1c(Nc2ccc(F)cc2)sc(C(=O)c2ccc(F)cc2)c1N.
What is the InChIKey of 4-amino-2-(4-fluoroanilino)-5-(4-fluorobenzoyl)thiophene-3-carbonitrile?
The InChIKey is TWBXPXSVVHUWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N3OS/c19-11-3-1-10(2-4-11)16(24)17-15(22)14(9-21)18(25-17)23-13-7-5-12(20)6-8-13/h1-8,23H,22H2.
What are the key properties of 4-amino-2-(4-fluoroanilino)-5-(4-fluorobenzoyl)thiophene-3-carbonitrile?
4-amino-2-(4-fluoroanilino)-5-(4-fluorobenzoyl)thiophene-3-carbonitrile has a molecular weight of 355.37 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-fluoroanilino)-5-(4-fluorobenzoyl)thiophene-3-carbonitrile is sourced from PubChem (CID 1086388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).