N-(3-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide

C12H11FN2OS — CID 107333812

IUPACN-(3-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(N)cc(F)c2)s1
InChIInChI=1S/C12H11FN2OS/c1-7-2-3-11(17-7)12(16)15-10-5-8(13)4-9(14)6-10/h2-6H,14H2,1H3,(H,15,16)
InChIKeyIXDSUMNNNFDYKO-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.03
Rot. Bonds2

About N-(3-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide

N-(3-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide (PubChem CID 107333812) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(3-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide
PubChem CID107333812
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC NameN-(3-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(N)cc(F)c2)s1
InChIInChI=1S/C12H11FN2OS/c1-7-2-3-11(17-7)12(16)15-10-5-8(13)4-9(14)6-10/h2-6H,14H2,1H3,(H,15,16)
InChIKeyIXDSUMNNNFDYKO-UHFFFAOYSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.03
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-(3-amino-5-fluorophenyl)-5-chlorothiophene-2-carboxamide
CID 107334076
N-(4-aminophenyl)-5-methylthiophene-2-carboxamide
CID 22612974
N-(2-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 55169355
N-(3-amino-5-fluorophenyl)-3-methylbenzamide
CID 107334074
N-(3-amino-5-fluorophenyl)benzamide
CID 107334043
N-(4-fluoro-2-methylphenyl)-5-methylthiophene-2-carboxamide
CID 2550682
N-(2,5-difluorophenyl)-5-methylthiophene-2-carboxamide
CID 16583786
N-(3-amino-5-fluorophenyl)-3-hydroxy-2-methylbenzamide
CID 107333857
N-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide
CID 14989717
N-(3-amino-5-fluorophenyl)-4-methoxybenzamide
CID 107333930
3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide
CID 79049078
1-(3-amino-5-fluorophenyl)-3-ethylurea
CID 107334332

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide (CID 107333812) is N-(3-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2cc(N)cc(F)c2)s1.
What is the InChIKey of N-(3-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is IXDSUMNNNFDYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-7-2-3-11(17-7)12(16)15-10-5-8(13)4-9(14)6-10/h2-6H,14H2,1H3,(H,15,16).
What are the key properties of N-(3-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide?
N-(3-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-5-fluorophenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 107333812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).