5-amino-2-N-(3-cyano-4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide

C14H11FN4O2S — CID 138490358

IUPAC5-amino-2-N-(3-cyano-4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(C#N)c2)sc(N)c1C(N)=O
InChIInChI=1S/C14H11FN4O2S/c1-6-10(12(17)20)13(18)22-11(6)14(21)19-8-2-3-9(15)7(4-8)5-16/h2-4H,18H2,1H3,(H2,17,20)(H,19,21)
InChIKeySNQIHWZYITZIJA-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.00
Rot. Bonds3

About 5-amino-2-N-(3-cyano-4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide

5-amino-2-N-(3-cyano-4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide (PubChem CID 138490358) has the molecular formula C14H11FN4O2S and a molecular weight of 318.33 g/mol. Its IUPAC name is 5-amino-2-N-(3-cyano-4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name5-amino-2-N-(3-cyano-4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide
PubChem CID138490358
Molecular FormulaC14H11FN4O2S
Molecular Weight318.33 g/mol
Exact Mass318.06
IUPAC Name5-amino-2-N-(3-cyano-4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(C#N)c2)sc(N)c1C(N)=O
InChIInChI=1S/C14H11FN4O2S/c1-6-10(12(17)20)13(18)22-11(6)14(21)19-8-2-3-9(15)7(4-8)5-16/h2-4H,18H2,1H3,(H2,17,20)(H,19,21)
InChIKeySNQIHWZYITZIJA-UHFFFAOYSA-N
XLogP2.00
TPSA122.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-N-(4-fluoro-3-methylphenyl)-3-methyl-2-N-phenylthiophene-2,4-dicarboxamide
CID 138490336
5-amino-2-N-(4-fluoro-3-methylphenyl)-3-methylthiophene-2,4-dicarboxamide
CID 138490343
5-amino-2-N-(3,4-difluorophenyl)-3-methylthiophene-2,4-dicarboxamide
CID 138490356
5-amino-2-N-[3-(difluoromethyl)-4-fluorophenyl]-3-methylthiophene-2,4-dicarboxamide
CID 138490372
5-amino-2-N-(3-chloro-4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide
CID 138490373
2-{[(4-Fluoroanilino)carbothioyl]amino}-4,5-dimethylthiophene-3-carboxamide
CID 681202
2-Acetylamino-4,5-dimethyl-thiophene-3-carboxylic acid p-tolylamide
CID 917185
2-(butanoylamino)-4,5-dimethyl-N-(3-methylphenyl)thiophene-3-carboxamide
CID 947379
N-(3-methylphenyl)-2-[(trifluoroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 1007061
2-[[Anilino(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxamide
CID 680979
2-(isobutyrylamino)-4,5-dimethyl-N-phenyl-3-thiophenecarboxamide
CID 786590
5-amino-3-methyl-N2-phenylthiophene-2,4-dicarboxamide
CID 737136

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-N-(3-cyano-4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide?
The IUPAC name of 5-amino-2-N-(3-cyano-4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide (CID 138490358) is 5-amino-2-N-(3-cyano-4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 5-amino-2-N-(3-cyano-4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide?
The canonical SMILES for 5-amino-2-N-(3-cyano-4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide is Cc1c(C(=O)Nc2ccc(F)c(C#N)c2)sc(N)c1C(N)=O.
What is the InChIKey of 5-amino-2-N-(3-cyano-4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide?
The InChIKey is SNQIHWZYITZIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2S/c1-6-10(12(17)20)13(18)22-11(6)14(21)19-8-2-3-9(15)7(4-8)5-16/h2-4H,18H2,1H3,(H2,17,20)(H,19,21).
What are the key properties of 5-amino-2-N-(3-cyano-4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide?
5-amino-2-N-(3-cyano-4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide has a molecular weight of 318.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-N-(3-cyano-4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 138490358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).