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

C14H13FN4OS — CID 103427665

IUPAC4-amino-5-cyano-2-[2-(3-fluorophenyl)ethylamino]thiophene-3-carboxamide
SMILESN#Cc1sc(NCCc2cccc(F)c2)c(C(N)=O)c1N
InChIInChI=1S/C14H13FN4OS/c15-9-3-1-2-8(6-9)4-5-19-14-11(13(18)20)12(17)10(7-16)21-14/h1-3,6,19H,4-5,17H2,(H2,18,20)
InChIKeyPZOQFTUDGVJGDN-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.09
Rot. Bonds5

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

4-amino-5-cyano-2-[2-(3-fluorophenyl)ethylamino]thiophene-3-carboxamide (PubChem CID 103427665) has the molecular formula C14H13FN4OS and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-amino-5-cyano-2-[2-(3-fluorophenyl)ethylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-2-[2-(3-fluorophenyl)ethylamino]thiophene-3-carboxamide
PubChem CID103427665
Molecular FormulaC14H13FN4OS
Molecular Weight304.35 g/mol
Exact Mass304.08
IUPAC Name4-amino-5-cyano-2-[2-(3-fluorophenyl)ethylamino]thiophene-3-carboxamide
SMILESN#Cc1sc(NCCc2cccc(F)c2)c(C(N)=O)c1N
InChIInChI=1S/C14H13FN4OS/c15-9-3-1-2-8(6-9)4-5-19-14-11(13(18)20)12(17)10(7-16)21-14/h1-3,6,19H,4-5,17H2,(H2,18,20)
InChIKeyPZOQFTUDGVJGDN-UHFFFAOYSA-N
XLogP2.09
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[2-(3-fluorophenyl)ethylamino]-4-methoxythiophene-2-carboxamide
CID 103427766
3-amino-5-[2-(3,5-difluorophenyl)ethylamino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103526209
4-amino-5-cyano-2-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-3-carboxamide
CID 106044889
4-amino-3-[2-(3-fluorophenyl)ethylamino]benzoic acid
CID 82785461
2-amino-3-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 115540075
3-amino-4-cyano-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
CID 103420730
5-bromo-N-[2-(3-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64623680
3-chloro-2-N-[2-(3-fluorophenyl)ethyl]benzene-1,2-diamine
CID 43566180
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336
N-[2-(3-fluorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 43566530
4-ethylsulfonyl-5-N-[2-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine
CID 103364034
4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 43565816

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-2-[2-(3-fluorophenyl)ethylamino]thiophene-3-carboxamide?
The IUPAC name of 4-amino-5-cyano-2-[2-(3-fluorophenyl)ethylamino]thiophene-3-carboxamide (CID 103427665) is 4-amino-5-cyano-2-[2-(3-fluorophenyl)ethylamino]thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-2-[2-(3-fluorophenyl)ethylamino]thiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-cyano-2-[2-(3-fluorophenyl)ethylamino]thiophene-3-carboxamide is N#Cc1sc(NCCc2cccc(F)c2)c(C(N)=O)c1N.
What is the InChIKey of 4-amino-5-cyano-2-[2-(3-fluorophenyl)ethylamino]thiophene-3-carboxamide?
The InChIKey is PZOQFTUDGVJGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4OS/c15-9-3-1-2-8(6-9)4-5-19-14-11(13(18)20)12(17)10(7-16)21-14/h1-3,6,19H,4-5,17H2,(H2,18,20).
What are the key properties of 4-amino-5-cyano-2-[2-(3-fluorophenyl)ethylamino]thiophene-3-carboxamide?
4-amino-5-cyano-2-[2-(3-fluorophenyl)ethylamino]thiophene-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-2-[2-(3-fluorophenyl)ethylamino]thiophene-3-carboxamide is sourced from PubChem (CID 103427665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).