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

C13H12F2N2OS — CID 139533695

IUPAC5-amino-N-(2,4-difluorophenyl)-N,2-dimethylthiophene-3-carboxamide
SMILESCc1sc(N)cc1C(=O)N(C)c1ccc(F)cc1F
InChIInChI=1S/C13H12F2N2OS/c1-7-9(6-12(16)19-7)13(18)17(2)11-4-3-8(14)5-10(11)15/h3-6H,16H2,1-2H3
InChIKeyZYVBSFHXLTWMPJ-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.19
Rot. Bonds2

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

5-amino-N-(2,4-difluorophenyl)-N,2-dimethylthiophene-3-carboxamide (PubChem CID 139533695) has the molecular formula C13H12F2N2OS and a molecular weight of 282.31 g/mol. Its IUPAC name is 5-amino-N-(2,4-difluorophenyl)-N,2-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,4-difluorophenyl)-N,2-dimethylthiophene-3-carboxamide
PubChem CID139533695
Molecular FormulaC13H12F2N2OS
Molecular Weight282.31 g/mol
Exact Mass282.06
IUPAC Name5-amino-N-(2,4-difluorophenyl)-N,2-dimethylthiophene-3-carboxamide
SMILESCc1sc(N)cc1C(=O)N(C)c1ccc(F)cc1F
InChIInChI=1S/C13H12F2N2OS/c1-7-9(6-12(16)19-7)13(18)17(2)11-4-3-8(14)5-10(11)15/h3-6H,16H2,1-2H3
InChIKeyZYVBSFHXLTWMPJ-UHFFFAOYSA-N
XLogP3.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,4-difluorophenyl)-N,2-dimethylthiophene-3-carboxamide?
The IUPAC name of 5-amino-N-(2,4-difluorophenyl)-N,2-dimethylthiophene-3-carboxamide (CID 139533695) is 5-amino-N-(2,4-difluorophenyl)-N,2-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 5-amino-N-(2,4-difluorophenyl)-N,2-dimethylthiophene-3-carboxamide?
The canonical SMILES for 5-amino-N-(2,4-difluorophenyl)-N,2-dimethylthiophene-3-carboxamide is Cc1sc(N)cc1C(=O)N(C)c1ccc(F)cc1F.
What is the InChIKey of 5-amino-N-(2,4-difluorophenyl)-N,2-dimethylthiophene-3-carboxamide?
The InChIKey is ZYVBSFHXLTWMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2OS/c1-7-9(6-12(16)19-7)13(18)17(2)11-4-3-8(14)5-10(11)15/h3-6H,16H2,1-2H3.
What are the key properties of 5-amino-N-(2,4-difluorophenyl)-N,2-dimethylthiophene-3-carboxamide?
5-amino-N-(2,4-difluorophenyl)-N,2-dimethylthiophene-3-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,4-difluorophenyl)-N,2-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 139533695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).