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

C12H10F2N2OS — CID 61089670

IUPAC4-amino-N-(3,5-difluorophenyl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cc(F)cc(F)c2)cc1N
InChIInChI=1S/C12H10F2N2OS/c1-6-10(15)5-11(18-6)12(17)16-9-3-7(13)2-8(14)4-9/h2-5H,15H2,1H3,(H,16,17)
InChIKeyFAKQRHXGGDVACP-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.17
Rot. Bonds2

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

4-amino-N-(3,5-difluorophenyl)-5-methylthiophene-2-carboxamide (PubChem CID 61089670) has the molecular formula C12H10F2N2OS and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-amino-N-(3,5-difluorophenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,5-difluorophenyl)-5-methylthiophene-2-carboxamide
PubChem CID61089670
Molecular FormulaC12H10F2N2OS
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name4-amino-N-(3,5-difluorophenyl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cc(F)cc(F)c2)cc1N
InChIInChI=1S/C12H10F2N2OS/c1-6-10(15)5-11(18-6)12(17)16-9-3-7(13)2-8(14)4-9/h2-5H,15H2,1H3,(H,16,17)
InChIKeyFAKQRHXGGDVACP-UHFFFAOYSA-N
XLogP3.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,5-difluorophenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-(3,5-difluorophenyl)-5-methylthiophene-2-carboxamide (CID 61089670) is 4-amino-N-(3,5-difluorophenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3,5-difluorophenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-(3,5-difluorophenyl)-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)Nc2cc(F)cc(F)c2)cc1N.
What is the InChIKey of 4-amino-N-(3,5-difluorophenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is FAKQRHXGGDVACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2OS/c1-6-10(15)5-11(18-6)12(17)16-9-3-7(13)2-8(14)4-9/h2-5H,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-(3,5-difluorophenyl)-5-methylthiophene-2-carboxamide?
4-amino-N-(3,5-difluorophenyl)-5-methylthiophene-2-carboxamide has a molecular weight of 268.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,5-difluorophenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 61089670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).