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

C14H16FN3OS — CID 103420742

IUPAC3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(N(C)Cc2cccc(F)c2)cc1N
InChIInChI=1S/C14H16FN3OS/c1-17-14(19)13-11(16)7-12(20-13)18(2)8-9-4-3-5-10(15)6-9/h3-7H,8,16H2,1-2H3,(H,17,19)
InChIKeyJJUOXXKROOPTRM-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.47
Rot. Bonds4

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

3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N-methylthiophene-2-carboxamide (PubChem CID 103420742) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N-methylthiophene-2-carboxamide
PubChem CID103420742
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(N(C)Cc2cccc(F)c2)cc1N
InChIInChI=1S/C14H16FN3OS/c1-17-14(19)13-11(16)7-12(20-13)18(2)8-9-4-3-5-10(15)6-9/h3-7H,8,16H2,1-2H3,(H,17,19)
InChIKeyJJUOXXKROOPTRM-UHFFFAOYSA-N
XLogP2.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]thiophene-2-carboxamide
CID 103509283
3-amino-5-[(3-bromophenyl)methyl-methylamino]-N-ethylthiophene-2-carboxamide
CID 103526615
3-amino-N,N-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]thiophene-2-carboxamide
CID 103418162
1-[3-amino-5-[benzyl(methyl)amino]thiophen-2-yl]ethanone
CID 103420289
methyl 3-amino-5-[(3-bromophenyl)methyl-methylamino]thiophene-2-carboxylate
CID 103526608
methyl 3-amino-5-[benzyl(methyl)amino]thiophene-2-carboxylate
CID 103420317
3-amino-5-[cyclopropylmethyl(methyl)amino]-N-methylthiophene-2-carboxamide
CID 103509542
3-amino-5-[methyl-[(4-methylphenyl)methyl]amino]thiophene-2-carboxamide
CID 103420709
4-[[[N-[(3-fluorophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]methyl]-N-methylbenzamide
CID 111284949
3-amino-4-cyano-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
CID 103420730
methyl 2-[(3-fluorophenyl)methyl-methylamino]-5-oxothieno[3,2-b]pyran-6-carboxylate
CID 139550013
2-[(3-fluorophenyl)methyl-methylamino]-5-oxothieno[3,2-b]pyran-6-carboxylic acid
CID 139537256

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N-methylthiophene-2-carboxamide (CID 103420742) is 3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N-methylthiophene-2-carboxamide is CNC(=O)c1sc(N(C)Cc2cccc(F)c2)cc1N.
What is the InChIKey of 3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N-methylthiophene-2-carboxamide?
The InChIKey is JJUOXXKROOPTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-17-14(19)13-11(16)7-12(20-13)18(2)8-9-4-3-5-10(15)6-9/h3-7H,8,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N-methylthiophene-2-carboxamide?
3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N-methylthiophene-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 103420742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).