2-cyclopropyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide

C20H22F3N3OS — CID 86891609

IUPAC2-cyclopropyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1cnc(C2CC2)s1
InChIInChI=1S/C20H22F3N3OS/c21-20(22,23)15-3-1-2-13(10-15)12-26-8-6-16(7-9-26)25-18(27)17-11-24-19(28-17)14-4-5-14/h1-3,10-11,14,16H,4-9,12H2,(H,25,27)
InChIKeyRFGHIHWUQYWNCL-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.43
Rot. Bonds5

About 2-cyclopropyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide

2-cyclopropyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 86891609) has the molecular formula C20H22F3N3OS and a molecular weight of 409.48 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID86891609
Molecular FormulaC20H22F3N3OS
Molecular Weight409.48 g/mol
Exact Mass409.14
IUPAC Name2-cyclopropyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1cnc(C2CC2)s1
InChIInChI=1S/C20H22F3N3OS/c21-20(22,23)15-3-1-2-13(10-15)12-26-8-6-16(7-9-26)25-18(27)17-11-24-19(28-17)14-4-5-14/h1-3,10-11,14,16H,4-9,12H2,(H,25,27)
InChIKeyRFGHIHWUQYWNCL-UHFFFAOYSA-N
XLogP4.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55945762
N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 163345849
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide
CID 55945248
6-(dimethylamino)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridazine-3-carboxamide
CID 56511189
5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55845431
2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 86812682
4-(cyclopropylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946520
4-(dimethylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946515
3-(2-oxo-1,3-thiazolidin-3-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 55946390
3-chloro-4,5-dimethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946382
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-cyclopropyl-1,3-thiazole-5-carboxamide
CID 86891667

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide (CID 86891609) is 2-cyclopropyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide is O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1cnc(C2CC2)s1.
What is the InChIKey of 2-cyclopropyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is RFGHIHWUQYWNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3OS/c21-20(22,23)15-3-1-2-13(10-15)12-26-8-6-16(7-9-26)25-18(27)17-11-24-19(28-17)14-4-5-14/h1-3,10-11,14,16H,4-9,12H2,(H,25,27).
What are the key properties of 2-cyclopropyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?
2-cyclopropyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 409.48 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86891609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).