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

C12H10F2N2OS — CID 43549824

IUPACN-(5-amino-2,4-difluorophenyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cc(N)c(F)cc1F
InChIInChI=1S/C12H10F2N2OS/c1-6-2-3-18-11(6)12(17)16-10-5-9(15)7(13)4-8(10)14/h2-5H,15H2,1H3,(H,16,17)
InChIKeyTZYQMGBOPKXMDV-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.17
Rot. Bonds2

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

N-(5-amino-2,4-difluorophenyl)-3-methylthiophene-2-carboxamide (PubChem CID 43549824) has the molecular formula C12H10F2N2OS and a molecular weight of 268.29 g/mol. Its IUPAC name is N-(5-amino-2,4-difluorophenyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2,4-difluorophenyl)-3-methylthiophene-2-carboxamide
PubChem CID43549824
Molecular FormulaC12H10F2N2OS
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC NameN-(5-amino-2,4-difluorophenyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cc(N)c(F)cc1F
InChIInChI=1S/C12H10F2N2OS/c1-6-2-3-18-11(6)12(17)16-10-5-9(15)7(13)4-8(10)14/h2-5H,15H2,1H3,(H,16,17)
InChIKeyTZYQMGBOPKXMDV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-methylphenyl)-3-methylthiophene-2-carboxamide
CID 24696696
N-(5-amino-2,4-difluorophenyl)-2,4,6-trimethylbenzamide
CID 43549842
N-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide
CID 24690358
N-(5-amino-2-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 43548778
3-amino-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 61091716
N-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide
CID 43549901
N-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 27906837
3-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 8714089
N-(3-amino-2,6-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 24707080
N-(2-amino-4-methylphenyl)-3-bromothiophene-2-carboxamide
CID 63804092
N-(3-amino-4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 24697524
N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 7947060

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-difluorophenyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(5-amino-2,4-difluorophenyl)-3-methylthiophene-2-carboxamide (CID 43549824) is N-(5-amino-2,4-difluorophenyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-amino-2,4-difluorophenyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(5-amino-2,4-difluorophenyl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cc(N)c(F)cc1F.
What is the InChIKey of N-(5-amino-2,4-difluorophenyl)-3-methylthiophene-2-carboxamide?
The InChIKey is TZYQMGBOPKXMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2OS/c1-6-2-3-18-11(6)12(17)16-10-5-9(15)7(13)4-8(10)14/h2-5H,15H2,1H3,(H,16,17).
What are the key properties of N-(5-amino-2,4-difluorophenyl)-3-methylthiophene-2-carboxamide?
N-(5-amino-2,4-difluorophenyl)-3-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 N-(5-amino-2,4-difluorophenyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 43549824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).