3-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide

C14H12FN3OS — CID 61107144

IUPAC3-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1cc(C#N)ccc1F)C(=O)c1sccc1N
InChIInChI=1S/C14H12FN3OS/c1-18(14(19)13-12(17)4-5-20-13)8-10-6-9(7-16)2-3-11(10)15/h2-6H,8,17H2,1H3
InChIKeyNFTNTLAXTWUNNE-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.61
Rot. Bonds3

About 3-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide

3-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 61107144) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide
PubChem CID61107144
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name3-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1cc(C#N)ccc1F)C(=O)c1sccc1N
InChIInChI=1S/C14H12FN3OS/c1-18(14(19)13-12(17)4-5-20-13)8-10-6-9(7-16)2-3-11(10)15/h2-6H,8,17H2,1H3
InChIKeyNFTNTLAXTWUNNE-UHFFFAOYSA-N
XLogP2.61
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylbenzamide
CID 60959792
2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N,2-dimethylpentanamide
CID 60945520
N-[(5-cyano-2-fluorophenyl)methyl]-N-methylbut-2-enamide
CID 112727359
3-amino-N-methyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 61094457
(2S)-2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpentanamide
CID 93371369
5-bromo-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 35382217
2-[(5-cyano-2-fluorophenyl)methyl-methylamino]acetic acid
CID 43442256
4-[(5-cyano-2-fluorophenyl)methyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302758
(2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61164507
N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 60945392
3-amino-N-(2-cyanopropyl)-N-methylthiophene-2-carboxamide
CID 61114368
4-fluoro-3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]benzonitrile
CID 78927342

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide (CID 61107144) is 3-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide is CN(Cc1cc(C#N)ccc1F)C(=O)c1sccc1N.
What is the InChIKey of 3-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is NFTNTLAXTWUNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c1-18(14(19)13-12(17)4-5-20-13)8-10-6-9(7-16)2-3-11(10)15/h2-6H,8,17H2,1H3.
What are the key properties of 3-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide?
3-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 61107144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).