5-ethyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide

C19H21F4N3OS — CID 44527649

IUPAC5-ethyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide
SMILESCCc1sc(N2CCC(C)CC2)nc1C(=O)Nc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C19H21F4N3OS/c1-3-15-16(25-18(28-15)26-8-6-11(2)7-9-26)17(27)24-14-5-4-12(20)10-13(14)19(21,22)23/h4-5,10-11H,3,6-9H2,1-2H3,(H,24,27)
InChIKeyJKANPFMEKMBEMU-UHFFFAOYSA-N
MW415.46 g/mol
LogP5.35
Rot. Bonds4

About 5-ethyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide

5-ethyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide (PubChem CID 44527649) has the molecular formula C19H21F4N3OS and a molecular weight of 415.46 g/mol. Its IUPAC name is 5-ethyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide
PubChem CID44527649
Molecular FormulaC19H21F4N3OS
Molecular Weight415.46 g/mol
Exact Mass415.13
IUPAC Name5-ethyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide
SMILESCCc1sc(N2CCC(C)CC2)nc1C(=O)Nc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C19H21F4N3OS/c1-3-15-16(25-18(28-15)26-8-6-11(2)7-9-26)17(27)24-14-5-4-12(20)10-13(14)19(21,22)23/h4-5,10-11H,3,6-9H2,1-2H3,(H,24,27)
InChIKeyJKANPFMEKMBEMU-UHFFFAOYSA-N
XLogP5.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.46
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide (CID 44527649) is 5-ethyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide is CCc1sc(N2CCC(C)CC2)nc1C(=O)Nc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 5-ethyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is JKANPFMEKMBEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F4N3OS/c1-3-15-16(25-18(28-15)26-8-6-11(2)7-9-26)17(27)24-14-5-4-12(20)10-13(14)19(21,22)23/h4-5,10-11H,3,6-9H2,1-2H3,(H,24,27).
What are the key properties of 5-ethyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide?
5-ethyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 44527649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).