N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide

C13H18F3N3OS — CID 122147132

IUPACN-(5-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCC(C)c1cnc(NC(=O)N2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C13H18F3N3OS/c1-8(2)10-7-17-11(21-10)18-12(20)19-5-3-9(4-6-19)13(14,15)16/h7-9H,3-6H2,1-2H3,(H,17,18,20)
InChIKeyKTGNDVMFOISFRB-UHFFFAOYSA-N
MW321.37 g/mol
LogP4.07
Rot. Bonds2

About N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide

N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 122147132) has the molecular formula C13H18F3N3OS and a molecular weight of 321.37 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID122147132
Molecular FormulaC13H18F3N3OS
Molecular Weight321.37 g/mol
Exact Mass321.11
IUPAC NameN-(5-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCC(C)c1cnc(NC(=O)N2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C13H18F3N3OS/c1-8(2)10-7-17-11(21-10)18-12(20)19-5-3-9(4-6-19)13(14,15)16/h7-9H,3-6H2,1-2H3,(H,17,18,20)
InChIKeyKTGNDVMFOISFRB-UHFFFAOYSA-N
XLogP4.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 45824857
1-(1-Cyclopentylpiperidin-4-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea
CID 71978932
1-(5-Ethyl-1,3-thiazol-2-yl)-3-(1-methylpiperidin-4-yl)urea
CID 71998287
1-[2-(Dimethylamino)ethyl]-3-[5-(2-methylpropyl)-1,3-thiazol-2-yl]urea
CID 75500154
N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 84587563
1-(1-Methylcyclopentyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 136536027
Tert-butyl 4-{2-[(trifluoroacetyl)amino]-1,3-thiazol-5-yl}piperidine-1-carboxylate
CID 23115875
1-(4-Methylcyclohexyl)-3-(5-methyl-1,3-thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]urea
CID 57883812
2,2,2-Trifluoro-1-[4-[3-[(5-methyl-1,3-thiazol-2-yl)amino]but-3-enyl]piperidin-1-yl]ethanone
CID 88409790
3-(5-Cyclobutyl-1,3-thiazol-2-yl)-1-cyclohexyl-1-(4,4-difluorocyclohexyl)urea
CID 164063635
tert-butyl (3R,4R)-4-(2-amino-1,3-thiazol-5-yl)-3-fluoropiperidine-1-carboxylate
CID 165126274
tert-butyl (3S,4S)-4-(2-amino-1,3-thiazol-5-yl)-3-fluoropiperidine-1-carboxylate
CID 165126290

Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide (CID 122147132) is N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide is CC(C)c1cnc(NC(=O)N2CCC(C(F)(F)F)CC2)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is KTGNDVMFOISFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3OS/c1-8(2)10-7-17-11(21-10)18-12(20)19-5-3-9(4-6-19)13(14,15)16/h7-9H,3-6H2,1-2H3,(H,17,18,20).
What are the key properties of N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide?
N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 321.37 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 122147132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).