3-amino-4-cyano-5-(2,2-difluoroethylamino)-N,N-dimethylthiophene-2-carboxamide

C10H12F2N4OS — CID 103505773

IUPAC3-amino-4-cyano-5-(2,2-difluoroethylamino)-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1sc(NCC(F)F)c(C#N)c1N
InChIInChI=1S/C10H12F2N4OS/c1-16(2)10(17)8-7(14)5(3-13)9(18-8)15-4-6(11)12/h6,15H,4,14H2,1-2H3
InChIKeyWZMXLTXGELZVNW-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.58
Rot. Bonds4

About 3-amino-4-cyano-5-(2,2-difluoroethylamino)-N,N-dimethylthiophene-2-carboxamide

3-amino-4-cyano-5-(2,2-difluoroethylamino)-N,N-dimethylthiophene-2-carboxamide (PubChem CID 103505773) has the molecular formula C10H12F2N4OS and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-amino-4-cyano-5-(2,2-difluoroethylamino)-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-(2,2-difluoroethylamino)-N,N-dimethylthiophene-2-carboxamide
PubChem CID103505773
Molecular FormulaC10H12F2N4OS
Molecular Weight274.30 g/mol
Exact Mass274.07
IUPAC Name3-amino-4-cyano-5-(2,2-difluoroethylamino)-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1sc(NCC(F)F)c(C#N)c1N
InChIInChI=1S/C10H12F2N4OS/c1-16(2)10(17)8-7(14)5(3-13)9(18-8)15-4-6(11)12/h6,15H,4,14H2,1-2H3
InChIKeyWZMXLTXGELZVNW-UHFFFAOYSA-N
XLogP1.58
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-cyano-5-(3-methoxypropylamino)-N,N-dimethylthiophene-2-carboxamide
CID 103427052
3-amino-4-cyano-5-(1-methoxypropan-2-ylamino)-N,N-dimethylthiophene-2-carboxamide
CID 103425102
3-amino-5-(2,2-difluoroethylamino)-4-ethylsulfonyl-N,N-dimethylthiophene-2-carboxamide
CID 103505774
3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide
CID 103426595
methyl 3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate
CID 106296514
5-acetyl-4-amino-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carbonitrile
CID 106296531
3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]-N,N-dimethylthiophene-2-carboxamide
CID 103422252
3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide
CID 106296507
4-amino-2-[3-(dimethylamino)propylamino]-5-propanoylthiophene-3-carbonitrile
CID 103426163
3-amino-N,N-dimethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
CID 103425781
3-amino-5-(butylamino)-4-cyano-N-ethylthiophene-2-carboxamide
CID 103425201
3-amino-N,N-dimethyl-5-(2-methylpropylamino)-4-methylsulfonylthiophene-2-carboxamide
CID 103423842

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-(2,2-difluoroethylamino)-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-(2,2-difluoroethylamino)-N,N-dimethylthiophene-2-carboxamide (CID 103505773) is 3-amino-4-cyano-5-(2,2-difluoroethylamino)-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-(2,2-difluoroethylamino)-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-(2,2-difluoroethylamino)-N,N-dimethylthiophene-2-carboxamide is CN(C)C(=O)c1sc(NCC(F)F)c(C#N)c1N.
What is the InChIKey of 3-amino-4-cyano-5-(2,2-difluoroethylamino)-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is WZMXLTXGELZVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4OS/c1-16(2)10(17)8-7(14)5(3-13)9(18-8)15-4-6(11)12/h6,15H,4,14H2,1-2H3.
What are the key properties of 3-amino-4-cyano-5-(2,2-difluoroethylamino)-N,N-dimethylthiophene-2-carboxamide?
3-amino-4-cyano-5-(2,2-difluoroethylamino)-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 1.58, 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-(2,2-difluoroethylamino)-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 103505773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).