5-amino-4-cyano-N-(3,4-difluorophenyl)-3-methylthiophene-2-carboxamide

C13H9F2N3OS — CID 138490339

IUPAC5-amino-4-cyano-N-(3,4-difluorophenyl)-3-methylthiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(F)c2)sc(N)c1C#N
InChIInChI=1S/C13H9F2N3OS/c1-6-8(5-16)12(17)20-11(6)13(19)18-7-2-3-9(14)10(15)4-7/h2-4H,17H2,1H3,(H,18,19)
InChIKeyBDNWAKDTDAFCKS-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.04
Rot. Bonds2

About 5-amino-4-cyano-N-(3,4-difluorophenyl)-3-methylthiophene-2-carboxamide

5-amino-4-cyano-N-(3,4-difluorophenyl)-3-methylthiophene-2-carboxamide (PubChem CID 138490339) has the molecular formula C13H9F2N3OS and a molecular weight of 293.30 g/mol. Its IUPAC name is 5-amino-4-cyano-N-(3,4-difluorophenyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-4-cyano-N-(3,4-difluorophenyl)-3-methylthiophene-2-carboxamide
PubChem CID138490339
Molecular FormulaC13H9F2N3OS
Molecular Weight293.30 g/mol
Exact Mass293.04
IUPAC Name5-amino-4-cyano-N-(3,4-difluorophenyl)-3-methylthiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(F)c2)sc(N)c1C#N
InChIInChI=1S/C13H9F2N3OS/c1-6-8(5-16)12(17)20-11(6)13(19)18-7-2-3-9(14)10(15)4-7/h2-4H,17H2,1H3,(H,18,19)
InChIKeyBDNWAKDTDAFCKS-UHFFFAOYSA-N
XLogP3.04
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-cyano-N-(3,4-difluorophenyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-amino-4-cyano-N-(3,4-difluorophenyl)-3-methylthiophene-2-carboxamide (CID 138490339) is 5-amino-4-cyano-N-(3,4-difluorophenyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-amino-4-cyano-N-(3,4-difluorophenyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-amino-4-cyano-N-(3,4-difluorophenyl)-3-methylthiophene-2-carboxamide is Cc1c(C(=O)Nc2ccc(F)c(F)c2)sc(N)c1C#N.
What is the InChIKey of 5-amino-4-cyano-N-(3,4-difluorophenyl)-3-methylthiophene-2-carboxamide?
The InChIKey is BDNWAKDTDAFCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3OS/c1-6-8(5-16)12(17)20-11(6)13(19)18-7-2-3-9(14)10(15)4-7/h2-4H,17H2,1H3,(H,18,19).
What are the key properties of 5-amino-4-cyano-N-(3,4-difluorophenyl)-3-methylthiophene-2-carboxamide?
5-amino-4-cyano-N-(3,4-difluorophenyl)-3-methylthiophene-2-carboxamide has a molecular weight of 293.30 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-cyano-N-(3,4-difluorophenyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 138490339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).