3-amino-4-cyano-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide

C14H13FN4OS — CID 103420730

IUPAC3-amino-4-cyano-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
SMILESCN(Cc1cccc(F)c1)c1sc(C(N)=O)c(N)c1C#N
InChIInChI=1S/C14H13FN4OS/c1-19(7-8-3-2-4-9(15)5-8)14-10(6-16)11(17)12(21-14)13(18)20/h2-5H,7,17H2,1H3,(H2,18,20)
InChIKeyKHOFRTNOSYBBEE-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.08
Rot. Bonds4

About 3-amino-4-cyano-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide

3-amino-4-cyano-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide (PubChem CID 103420730) has the molecular formula C14H13FN4OS and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-amino-4-cyano-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
PubChem CID103420730
Molecular FormulaC14H13FN4OS
Molecular Weight304.35 g/mol
Exact Mass304.08
IUPAC Name3-amino-4-cyano-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
SMILESCN(Cc1cccc(F)c1)c1sc(C(N)=O)c(N)c1C#N
InChIInChI=1S/C14H13FN4OS/c1-19(7-8-3-2-4-9(15)5-8)14-10(6-16)11(17)12(21-14)13(18)20/h2-5H,7,17H2,1H3,(H2,18,20)
InChIKeyKHOFRTNOSYBBEE-UHFFFAOYSA-N
XLogP2.08
TPSA96.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-cyano-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
CID 103418147
1-cyano-N-[(3-fluorophenyl)methyl]-N-methylformamide
CID 115172406
3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N-methylthiophene-2-carboxamide
CID 103420742
4-amino-2-[methyl(2,2,2-trifluoroethyl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103509469
1-[3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophen-2-yl]ethanone
CID 103418163
methyl 2-[(3-fluorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80570354
3-amino-5-[2-(3-fluorophenyl)ethylamino]-4-methoxythiophene-2-carboxamide
CID 103427766
4-chloro-2-[(3-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 78979630
3-amino-5-[methyl-[(3-methylphenyl)methyl]amino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103418165
3-amino-4-[[(3-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 43375822
4-amino-5-cyano-2-[2-(3-fluorophenyl)ethylamino]thiophene-3-carboxamide
CID 103427665
3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide
CID 28942552

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide (CID 103420730) is 3-amino-4-cyano-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide is CN(Cc1cccc(F)c1)c1sc(C(N)=O)c(N)c1C#N.
What is the InChIKey of 3-amino-4-cyano-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide?
The InChIKey is KHOFRTNOSYBBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4OS/c1-19(7-8-3-2-4-9(15)5-8)14-10(6-16)11(17)12(21-14)13(18)20/h2-5H,7,17H2,1H3,(H2,18,20).
What are the key properties of 3-amino-4-cyano-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide?
3-amino-4-cyano-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide is sourced from PubChem (CID 103420730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).