3-amino-N-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide

C12H16F3N3OS — CID 103422884

IUPAC3-amino-N-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide
SMILESCNC(=O)c1sc(N2CCCC(C(F)(F)F)C2)cc1N
InChIInChI=1S/C12H16F3N3OS/c1-17-11(19)10-8(16)5-9(20-10)18-4-2-3-7(6-18)12(13,14)15/h5,7H,2-4,6,16H2,1H3,(H,17,19)
InChIKeyZQGUDVTUYNBPFW-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.47
Rot. Bonds2

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

3-amino-N-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide (PubChem CID 103422884) has the molecular formula C12H16F3N3OS and a molecular weight of 307.34 g/mol. Its IUPAC name is 3-amino-N-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide
PubChem CID103422884
Molecular FormulaC12H16F3N3OS
Molecular Weight307.34 g/mol
Exact Mass307.10
IUPAC Name3-amino-N-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide
SMILESCNC(=O)c1sc(N2CCCC(C(F)(F)F)C2)cc1N
InChIInChI=1S/C12H16F3N3OS/c1-17-11(19)10-8(16)5-9(20-10)18-4-2-3-7(6-18)12(13,14)15/h5,7H,2-4,6,16H2,1H3,(H,17,19)
InChIKeyZQGUDVTUYNBPFW-UHFFFAOYSA-N
XLogP2.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide
CID 103419126
3-amino-N-methyl-5-(3,4,5-trimethylpiperazin-1-yl)thiophene-2-carboxamide
CID 103507270
3-amino-5-(3-tert-butylpyrrolidin-1-yl)-N-ethylthiophene-2-carboxamide
CID 103506239
3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418986
3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylthiophene-2-carboxamide
CID 103421549
3-amino-N-cyclopropyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide
CID 103422093
3-amino-5-(4-methylazepan-1-yl)-N-propylthiophene-2-carboxamide
CID 103422043
[3-amino-5-(3-ethylpiperidin-1-yl)thiophen-2-yl]-cyclopropylmethanone
CID 103509114
1-[3-amino-4-methoxy-5-[3-(trifluoromethyl)piperidin-1-yl]thiophen-2-yl]ethanone
CID 103422876
3-amino-4-methoxy-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide
CID 103422881
1-(3-amino-5-piperidin-1-ylthiophen-2-yl)ethanone
CID 103419795
4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]aniline
CID 97044380

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide (CID 103422884) is 3-amino-N-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide is CNC(=O)c1sc(N2CCCC(C(F)(F)F)C2)cc1N.
What is the InChIKey of 3-amino-N-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide?
The InChIKey is ZQGUDVTUYNBPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3OS/c1-17-11(19)10-8(16)5-9(20-10)18-4-2-3-7(6-18)12(13,14)15/h5,7H,2-4,6,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-N-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide?
3-amino-N-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide has a molecular weight of 307.34 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 103422884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).