N-pyridazin-4-yl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide

C14H14F3N5OS — CID 129488366

IUPACN-pyridazin-4-yl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccnnc1)N1CCC(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C14H14F3N5OS/c15-14(16,17)11-8-24-12(21-11)9-2-5-22(6-3-9)13(23)20-10-1-4-18-19-7-10/h1,4,7-9H,2-3,5-6H2,(H,18,20,23)
InChIKeyMYLYGGISVOVQAY-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.36
Rot. Bonds2

About N-pyridazin-4-yl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide

N-pyridazin-4-yl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide (PubChem CID 129488366) has the molecular formula C14H14F3N5OS and a molecular weight of 357.36 g/mol. Its IUPAC name is N-pyridazin-4-yl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-pyridazin-4-yl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
PubChem CID129488366
Molecular FormulaC14H14F3N5OS
Molecular Weight357.36 g/mol
Exact Mass357.09
IUPAC NameN-pyridazin-4-yl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccnnc1)N1CCC(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C14H14F3N5OS/c15-14(16,17)11-8-24-12(21-11)9-2-5-22(6-3-9)13(23)20-10-1-4-18-19-7-10/h1,4,7-9H,2-3,5-6H2,(H,18,20,23)
InChIKeyMYLYGGISVOVQAY-UHFFFAOYSA-N
XLogP3.36
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

oxiran-2-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 154880206
N-[(5S,7R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 129347190
4-pyridin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxamide
CID 136536230
1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pent-4-en-1-one
CID 122151843
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methyl-3-nitrophenyl)piperidine-1-carboxamide
CID 3865155
4-[1-fluoro-1-[4-(trifluoromethyl)phenyl]sulfinylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 145127367
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide
CID 138025615
4-[difluoro-(2-pyrazol-1-ylphenyl)sulfinylmethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 145127379
4-[1-(2-cyanophenyl)sulfinyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 145127394
4-[difluoro-[2-(hydroxymethyl)phenyl]sulfonylmethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 122424240
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 3858032
N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide
CID 115778116

Frequently Asked Questions

What is the IUPAC name of N-pyridazin-4-yl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-pyridazin-4-yl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide (CID 129488366) is N-pyridazin-4-yl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-pyridazin-4-yl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-pyridazin-4-yl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide is O=C(Nc1ccnnc1)N1CCC(c2nc(C(F)(F)F)cs2)CC1.
What is the InChIKey of N-pyridazin-4-yl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is MYLYGGISVOVQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5OS/c15-14(16,17)11-8-24-12(21-11)9-2-5-22(6-3-9)13(23)20-10-1-4-18-19-7-10/h1,4,7-9H,2-3,5-6H2,(H,18,20,23).
What are the key properties of N-pyridazin-4-yl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
N-pyridazin-4-yl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 357.36 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridazin-4-yl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 129488366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).