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

C14H13FN4OS — CID 103420721

IUPAC4-amino-5-cyano-2-[(3-fluorophenyl)methyl-methylamino]thiophene-3-carboxamide
SMILESCN(Cc1cccc(F)c1)c1sc(C#N)c(N)c1C(N)=O
InChIInChI=1S/C14H13FN4OS/c1-19(7-8-3-2-4-9(15)5-8)14-11(13(18)20)12(17)10(6-16)21-14/h2-5H,7,17H2,1H3,(H2,18,20)
InChIKeyUISSXXAUWXYWQZ-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.08
Rot. Bonds4

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

4-amino-5-cyano-2-[(3-fluorophenyl)methyl-methylamino]thiophene-3-carboxamide (PubChem CID 103420721) has the molecular formula C14H13FN4OS and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-amino-5-cyano-2-[(3-fluorophenyl)methyl-methylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-2-[(3-fluorophenyl)methyl-methylamino]thiophene-3-carboxamide
PubChem CID103420721
Molecular FormulaC14H13FN4OS
Molecular Weight304.35 g/mol
Exact Mass304.08
IUPAC Name4-amino-5-cyano-2-[(3-fluorophenyl)methyl-methylamino]thiophene-3-carboxamide
SMILESCN(Cc1cccc(F)c1)c1sc(C#N)c(N)c1C(N)=O
InChIInChI=1S/C14H13FN4OS/c1-19(7-8-3-2-4-9(15)5-8)14-11(13(18)20)12(17)10(6-16)21-14/h2-5H,7,17H2,1H3,(H2,18,20)
InChIKeyUISSXXAUWXYWQZ-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

5-amino-2-N-(3-cyano-4-fluorophenyl)-3-methylthiophene-2,4-dicarboxamide
CID 138490358
4-Amino-5-[(4-methylphenyl)-oxomethyl]-2-(prop-2-enylamino)-3-thiophenecarbonitrile
CID 1841174
2-Allylamino-4-amino-5-benzoyl-thiophene-3-carbonitrile
CID 1963940
4-Amino-5-benzoyl-2-(isopropylamino)thiophene-3-carbonitrile
CID 42647802
4-Amino-5-[(4-fluorophenyl)carbonyl]-2-(prop-2-en-1-ylamino)thiophene-3-carbonitrile
CID 1830773
2-Amino-5-(4-fluorobenzoyl)-4-(methylamino)thiophene-3-carbonitrile
CID 2986143
3-Dimethylamino-5-(4-fluoro-phenyl)-thiophene-2-carboxylic acid amide
CID 11499932
4-Amino-5-(4-cyanobenzoyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile
CID 155549197
4-Amino-5-(3-cyanobenzoyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile
CID 155559449
3-amino-5-anilino-4-cyano-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 1301833
4-Amino-5-benzoyl-2-piperidin-1-ylthiophene-3-carbonitrile
CID 12584111
4-Amino-2-(ethylamino)-5-(4-fluorobenzoyl)thiophene-3-carbonitrile
CID 912882

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-2-[(3-fluorophenyl)methyl-methylamino]thiophene-3-carboxamide?
The IUPAC name of 4-amino-5-cyano-2-[(3-fluorophenyl)methyl-methylamino]thiophene-3-carboxamide (CID 103420721) is 4-amino-5-cyano-2-[(3-fluorophenyl)methyl-methylamino]thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-2-[(3-fluorophenyl)methyl-methylamino]thiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-cyano-2-[(3-fluorophenyl)methyl-methylamino]thiophene-3-carboxamide is CN(Cc1cccc(F)c1)c1sc(C#N)c(N)c1C(N)=O.
What is the InChIKey of 4-amino-5-cyano-2-[(3-fluorophenyl)methyl-methylamino]thiophene-3-carboxamide?
The InChIKey is UISSXXAUWXYWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4OS/c1-19(7-8-3-2-4-9(15)5-8)14-11(13(18)20)12(17)10(6-16)21-14/h2-5H,7,17H2,1H3,(H2,18,20).
What are the key properties of 4-amino-5-cyano-2-[(3-fluorophenyl)methyl-methylamino]thiophene-3-carboxamide?
4-amino-5-cyano-2-[(3-fluorophenyl)methyl-methylamino]thiophene-3-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 4-amino-5-cyano-2-[(3-fluorophenyl)methyl-methylamino]thiophene-3-carboxamide is sourced from PubChem (CID 103420721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).