4-amino-5-cyano-2-[3-(trifluoromethyl)piperidin-1-yl]thiophene-3-carboxamide

C12H13F3N4OS — CID 103422863

IUPAC4-amino-5-cyano-2-[3-(trifluoromethyl)piperidin-1-yl]thiophene-3-carboxamide
SMILESN#Cc1sc(N2CCCC(C(F)(F)F)C2)c(C(N)=O)c1N
InChIInChI=1S/C12H13F3N4OS/c13-12(14,15)6-2-1-3-19(5-6)11-8(10(18)20)9(17)7(4-16)21-11/h6H,1-3,5,17H2,(H2,18,20)
InChIKeySIAHYMLRZPIOFH-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.08
Rot. Bonds2

About 4-amino-5-cyano-2-[3-(trifluoromethyl)piperidin-1-yl]thiophene-3-carboxamide

4-amino-5-cyano-2-[3-(trifluoromethyl)piperidin-1-yl]thiophene-3-carboxamide (PubChem CID 103422863) has the molecular formula C12H13F3N4OS and a molecular weight of 318.32 g/mol. Its IUPAC name is 4-amino-5-cyano-2-[3-(trifluoromethyl)piperidin-1-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-2-[3-(trifluoromethyl)piperidin-1-yl]thiophene-3-carboxamide
PubChem CID103422863
Molecular FormulaC12H13F3N4OS
Molecular Weight318.32 g/mol
Exact Mass318.08
IUPAC Name4-amino-5-cyano-2-[3-(trifluoromethyl)piperidin-1-yl]thiophene-3-carboxamide
SMILESN#Cc1sc(N2CCCC(C(F)(F)F)C2)c(C(N)=O)c1N
InChIInChI=1S/C12H13F3N4OS/c13-12(14,15)6-2-1-3-19(5-6)11-8(10(18)20)9(17)7(4-16)21-11/h6H,1-3,5,17H2,(H2,18,20)
InChIKeySIAHYMLRZPIOFH-UHFFFAOYSA-N
XLogP2.08
TPSA96.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Amino-5-cyano-2-[(2,5-difluorophenyl)methylamino]thiophene-3-carboxamide
CID 103417610
4-Amino-5-cyano-2-[(4-fluorophenyl)methyl-methylamino]thiophene-3-carboxamide
CID 103418138
3-Amino-4-cyano-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
CID 103418147
4-Amino-5-cyano-2-[(3-fluorophenyl)methyl-methylamino]thiophene-3-carboxamide
CID 103420721
3-Amino-4-cyano-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
CID 103420730
4-Amino-5-(cyclopropanecarbonyl)-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carbonitrile
CID 103422796
4-Amino-2-[methyl(3,3,3-trifluoropropyl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103422797
4-Amino-5-cyano-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide
CID 103422798
3-Amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422803
3-Amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422806
3-amino-4-cyano-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422810
3-amino-4-cyano-N-methyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422818

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-2-[3-(trifluoromethyl)piperidin-1-yl]thiophene-3-carboxamide?
The IUPAC name of 4-amino-5-cyano-2-[3-(trifluoromethyl)piperidin-1-yl]thiophene-3-carboxamide (CID 103422863) is 4-amino-5-cyano-2-[3-(trifluoromethyl)piperidin-1-yl]thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-2-[3-(trifluoromethyl)piperidin-1-yl]thiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-cyano-2-[3-(trifluoromethyl)piperidin-1-yl]thiophene-3-carboxamide is N#Cc1sc(N2CCCC(C(F)(F)F)C2)c(C(N)=O)c1N.
What is the InChIKey of 4-amino-5-cyano-2-[3-(trifluoromethyl)piperidin-1-yl]thiophene-3-carboxamide?
The InChIKey is SIAHYMLRZPIOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4OS/c13-12(14,15)6-2-1-3-19(5-6)11-8(10(18)20)9(17)7(4-16)21-11/h6H,1-3,5,17H2,(H2,18,20).
What are the key properties of 4-amino-5-cyano-2-[3-(trifluoromethyl)piperidin-1-yl]thiophene-3-carboxamide?
4-amino-5-cyano-2-[3-(trifluoromethyl)piperidin-1-yl]thiophene-3-carboxamide has a molecular weight of 318.32 g/mol, XLogP of 2.08, 2 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-(trifluoromethyl)piperidin-1-yl]thiophene-3-carboxamide is sourced from PubChem (CID 103422863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).