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

C15H13N3OS — CID 911793

IUPAC4-amino-2-anilino-5-(cyclopropanecarbonyl)thiophene-3-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C15H13N3OS/c16-8-11-12(17)14(13(19)9-6-7-9)20-15(11)18-10-4-2-1-3-5-10/h1-5,9,18H,6-7,17H2
InChIKeyYKPOUUHMBHFVLB-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.54
Rot. Bonds4

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

4-amino-2-anilino-5-(cyclopropanecarbonyl)thiophene-3-carbonitrile (PubChem CID 911793) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 4-amino-2-anilino-5-(cyclopropanecarbonyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-anilino-5-(cyclopropanecarbonyl)thiophene-3-carbonitrile
PubChem CID911793
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name4-amino-2-anilino-5-(cyclopropanecarbonyl)thiophene-3-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C15H13N3OS/c16-8-11-12(17)14(13(19)9-6-7-9)20-15(11)18-10-4-2-1-3-5-10/h1-5,9,18H,6-7,17H2
InChIKeyYKPOUUHMBHFVLB-UHFFFAOYSA-N
XLogP3.54
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.54
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-2-anilino-5-(cyclopropanecarbonyl)thiophene-3-carbonitrile?
The IUPAC name of 4-amino-2-anilino-5-(cyclopropanecarbonyl)thiophene-3-carbonitrile (CID 911793) is 4-amino-2-anilino-5-(cyclopropanecarbonyl)thiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-2-anilino-5-(cyclopropanecarbonyl)thiophene-3-carbonitrile?
The canonical SMILES for 4-amino-2-anilino-5-(cyclopropanecarbonyl)thiophene-3-carbonitrile is N#Cc1c(Nc2ccccc2)sc(C(=O)C2CC2)c1N.
What is the InChIKey of 4-amino-2-anilino-5-(cyclopropanecarbonyl)thiophene-3-carbonitrile?
The InChIKey is YKPOUUHMBHFVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c16-8-11-12(17)14(13(19)9-6-7-9)20-15(11)18-10-4-2-1-3-5-10/h1-5,9,18H,6-7,17H2.
What are the key properties of 4-amino-2-anilino-5-(cyclopropanecarbonyl)thiophene-3-carbonitrile?
4-amino-2-anilino-5-(cyclopropanecarbonyl)thiophene-3-carbonitrile has a molecular weight of 283.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-anilino-5-(cyclopropanecarbonyl)thiophene-3-carbonitrile is sourced from PubChem (CID 911793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).