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

C12H16F3N3O2S — CID 103422881

IUPAC3-amino-4-methoxy-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide
SMILESCOc1c(N2CCCC(C(F)(F)F)C2)sc(C(N)=O)c1N
InChIInChI=1S/C12H16F3N3O2S/c1-20-8-7(16)9(10(17)19)21-11(8)18-4-2-3-6(5-18)12(13,14)15/h6H,2-5,16H2,1H3,(H2,17,19)
InChIKeyUHYOEDBMHTXFNY-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.22
Rot. Bonds3

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

3-amino-4-methoxy-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide (PubChem CID 103422881) has the molecular formula C12H16F3N3O2S and a molecular weight of 323.34 g/mol. Its IUPAC name is 3-amino-4-methoxy-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methoxy-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide
PubChem CID103422881
Molecular FormulaC12H16F3N3O2S
Molecular Weight323.34 g/mol
Exact Mass323.09
IUPAC Name3-amino-4-methoxy-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide
SMILESCOc1c(N2CCCC(C(F)(F)F)C2)sc(C(N)=O)c1N
InChIInChI=1S/C12H16F3N3O2S/c1-20-8-7(16)9(10(17)19)21-11(8)18-4-2-3-6(5-18)12(13,14)15/h6H,2-5,16H2,1H3,(H2,17,19)
InChIKeyUHYOEDBMHTXFNY-UHFFFAOYSA-N
XLogP2.22
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-amino-4-methoxy-5-[3-(trifluoromethyl)piperidin-1-yl]thiophen-2-yl]ethanone
CID 103422876
3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide
CID 103507599
3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103525772
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methoxythiophene-2-carboxamide
CID 103505458
3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide
CID 103422789
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103506593
3-amino-5-(4-ethylpiperazin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103418763
methyl 3-amino-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxylate
CID 103382171
3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methoxythiophene-2-carboxamide
CID 103419611
3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418885
methyl 3-amino-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxylate
CID 103506141
methyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103506297

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-methoxy-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide (CID 103422881) is 3-amino-4-methoxy-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-methoxy-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-methoxy-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide is COc1c(N2CCCC(C(F)(F)F)C2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-methoxy-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide?
The InChIKey is UHYOEDBMHTXFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2S/c1-20-8-7(16)9(10(17)19)21-11(8)18-4-2-3-6(5-18)12(13,14)15/h6H,2-5,16H2,1H3,(H2,17,19).
What are the key properties of 3-amino-4-methoxy-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide?
3-amino-4-methoxy-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide has a molecular weight of 323.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 103422881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).