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

C15H12FN3OS — CID 912110

IUPAC4-amino-5-(cyclopropanecarbonyl)-2-(4-fluoroanilino)thiophene-3-carbonitrile
SMILESN#Cc1c(Nc2ccc(F)cc2)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C15H12FN3OS/c16-9-3-5-10(6-4-9)19-15-11(7-17)12(18)14(21-15)13(20)8-1-2-8/h3-6,8,19H,1-2,18H2
InChIKeyHRACUISPJOIKIQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.68
Rot. Bonds4

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

4-amino-5-(cyclopropanecarbonyl)-2-(4-fluoroanilino)thiophene-3-carbonitrile (PubChem CID 912110) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-amino-5-(cyclopropanecarbonyl)-2-(4-fluoroanilino)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(cyclopropanecarbonyl)-2-(4-fluoroanilino)thiophene-3-carbonitrile
PubChem CID912110
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name4-amino-5-(cyclopropanecarbonyl)-2-(4-fluoroanilino)thiophene-3-carbonitrile
SMILESN#Cc1c(Nc2ccc(F)cc2)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C15H12FN3OS/c16-9-3-5-10(6-4-9)19-15-11(7-17)12(18)14(21-15)13(20)8-1-2-8/h3-6,8,19H,1-2,18H2
InChIKeyHRACUISPJOIKIQ-UHFFFAOYSA-N
XLogP3.68
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.68
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(cyclopropanecarbonyl)-2-(4-fluoroanilino)thiophene-3-carbonitrile?
The IUPAC name of 4-amino-5-(cyclopropanecarbonyl)-2-(4-fluoroanilino)thiophene-3-carbonitrile (CID 912110) is 4-amino-5-(cyclopropanecarbonyl)-2-(4-fluoroanilino)thiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-5-(cyclopropanecarbonyl)-2-(4-fluoroanilino)thiophene-3-carbonitrile?
The canonical SMILES for 4-amino-5-(cyclopropanecarbonyl)-2-(4-fluoroanilino)thiophene-3-carbonitrile is N#Cc1c(Nc2ccc(F)cc2)sc(C(=O)C2CC2)c1N.
What is the InChIKey of 4-amino-5-(cyclopropanecarbonyl)-2-(4-fluoroanilino)thiophene-3-carbonitrile?
The InChIKey is HRACUISPJOIKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c16-9-3-5-10(6-4-9)19-15-11(7-17)12(18)14(21-15)13(20)8-1-2-8/h3-6,8,19H,1-2,18H2.
What are the key properties of 4-amino-5-(cyclopropanecarbonyl)-2-(4-fluoroanilino)thiophene-3-carbonitrile?
4-amino-5-(cyclopropanecarbonyl)-2-(4-fluoroanilino)thiophene-3-carbonitrile has a molecular weight of 301.35 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(cyclopropanecarbonyl)-2-(4-fluoroanilino)thiophene-3-carbonitrile is sourced from PubChem (CID 912110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).