N-(4-methyl-1,3-oxazol-2-yl)-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

C21H19F3N4O3S — CID 74228486

IUPACN-(4-methyl-1,3-oxazol-2-yl)-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1coc(NC(=O)c2csc(C3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)n2)n1
InChIInChI=1S/C21H19F3N4O3S/c1-12-10-31-20(25-12)27-17(29)16-11-32-18(26-16)13-6-8-28(9-7-13)19(30)14-4-2-3-5-15(14)21(22,23)24/h2-5,10-11,13H,6-9H2,1H3,(H,25,27,29)
InChIKeyWSHFLCUIUZITAY-UHFFFAOYSA-N
MW464.47 g/mol
LogP4.73
Rot. Bonds4

About N-(4-methyl-1,3-oxazol-2-yl)-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-(4-methyl-1,3-oxazol-2-yl)-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 74228486) has the molecular formula C21H19F3N4O3S and a molecular weight of 464.47 g/mol. Its IUPAC name is N-(4-methyl-1,3-oxazol-2-yl)-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-oxazol-2-yl)-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID74228486
Molecular FormulaC21H19F3N4O3S
Molecular Weight464.47 g/mol
Exact Mass464.11
IUPAC NameN-(4-methyl-1,3-oxazol-2-yl)-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1coc(NC(=O)c2csc(C3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)n2)n1
InChIInChI=1S/C21H19F3N4O3S/c1-12-10-31-20(25-12)27-17(29)16-11-32-18(26-16)13-6-8-28(9-7-13)19(30)14-4-2-3-5-15(14)21(22,23)24/h2-5,10-11,13H,6-9H2,1H3,(H,25,27,29)
InChIKeyWSHFLCUIUZITAY-UHFFFAOYSA-N
XLogP4.73
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 3760095
methyl 3-[[2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 3839268
N-(5-chloro-2-methoxyphenyl)-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3386938
N-(3,3-diphenylpropyl)-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3755464
N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 5100531
N-(2,3-dihydro-1H-inden-1-yl)-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3350550
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3559119
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3807473
N-methyl-N-prop-2-ynyl-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3824098
[4-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 3715646
N-benzyl-N-ethyl-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 4584974
N-[[amino(pyrazin-2-yl)methylidene]amino]-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3810160

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-oxazol-2-yl)-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-methyl-1,3-oxazol-2-yl)-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 74228486) is N-(4-methyl-1,3-oxazol-2-yl)-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-oxazol-2-yl)-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-oxazol-2-yl)-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is Cc1coc(NC(=O)c2csc(C3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)n2)n1.
What is the InChIKey of N-(4-methyl-1,3-oxazol-2-yl)-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is WSHFLCUIUZITAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3S/c1-12-10-31-20(25-12)27-17(29)16-11-32-18(26-16)13-6-8-28(9-7-13)19(30)14-4-2-3-5-15(14)21(22,23)24/h2-5,10-11,13H,6-9H2,1H3,(H,25,27,29).
What are the key properties of N-(4-methyl-1,3-oxazol-2-yl)-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-(4-methyl-1,3-oxazol-2-yl)-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 464.47 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-oxazol-2-yl)-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 74228486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).