4-amino-5-cyano-2-[(2,5-difluorophenyl)methylamino]thiophene-3-carboxamide

C13H10F2N4OS — CID 103417610

IUPAC4-amino-5-cyano-2-[(2,5-difluorophenyl)methylamino]thiophene-3-carboxamide
SMILESN#Cc1sc(NCc2cc(F)ccc2F)c(C(N)=O)c1N
InChIInChI=1S/C13H10F2N4OS/c14-7-1-2-8(15)6(3-7)5-19-13-10(12(18)20)11(17)9(4-16)21-13/h1-3,19H,5,17H2,(H2,18,20)
InChIKeyLPUSFSXOFZKMED-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.19
Rot. Bonds4

About 4-amino-5-cyano-2-[(2,5-difluorophenyl)methylamino]thiophene-3-carboxamide

4-amino-5-cyano-2-[(2,5-difluorophenyl)methylamino]thiophene-3-carboxamide (PubChem CID 103417610) has the molecular formula C13H10F2N4OS and a molecular weight of 308.31 g/mol. Its IUPAC name is 4-amino-5-cyano-2-[(2,5-difluorophenyl)methylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-2-[(2,5-difluorophenyl)methylamino]thiophene-3-carboxamide
PubChem CID103417610
Molecular FormulaC13H10F2N4OS
Molecular Weight308.31 g/mol
Exact Mass308.05
IUPAC Name4-amino-5-cyano-2-[(2,5-difluorophenyl)methylamino]thiophene-3-carboxamide
SMILESN#Cc1sc(NCc2cc(F)ccc2F)c(C(N)=O)c1N
InChIInChI=1S/C13H10F2N4OS/c14-7-1-2-8(15)6(3-7)5-19-13-10(12(18)20)11(17)9(4-16)21-13/h1-3,19H,5,17H2,(H2,18,20)
InChIKeyLPUSFSXOFZKMED-UHFFFAOYSA-N
XLogP2.19
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.19
H-Bond Donors ≤ 53
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
5-amino-4-cyano-N-(3,4-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 138490339
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
4-Amino-2-(isopropylamino)-5-(4-methylbenzoyl)-3-thiophenecarbonitrile
CID 47001262
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-but-3-enoyl-2-(methylamino)thiophene-3-carbonitrile
CID 721976

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-2-[(2,5-difluorophenyl)methylamino]thiophene-3-carboxamide?
The IUPAC name of 4-amino-5-cyano-2-[(2,5-difluorophenyl)methylamino]thiophene-3-carboxamide (CID 103417610) is 4-amino-5-cyano-2-[(2,5-difluorophenyl)methylamino]thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-2-[(2,5-difluorophenyl)methylamino]thiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-cyano-2-[(2,5-difluorophenyl)methylamino]thiophene-3-carboxamide is N#Cc1sc(NCc2cc(F)ccc2F)c(C(N)=O)c1N.
What is the InChIKey of 4-amino-5-cyano-2-[(2,5-difluorophenyl)methylamino]thiophene-3-carboxamide?
The InChIKey is LPUSFSXOFZKMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4OS/c14-7-1-2-8(15)6(3-7)5-19-13-10(12(18)20)11(17)9(4-16)21-13/h1-3,19H,5,17H2,(H2,18,20).
What are the key properties of 4-amino-5-cyano-2-[(2,5-difluorophenyl)methylamino]thiophene-3-carboxamide?
4-amino-5-cyano-2-[(2,5-difluorophenyl)methylamino]thiophene-3-carboxamide has a molecular weight of 308.31 g/mol, XLogP of 2.19, 4 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-[(2,5-difluorophenyl)methylamino]thiophene-3-carboxamide is sourced from PubChem (CID 103417610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).