N-ethyl-2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-N-(1-oxo-1-pyridin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide

C34H33F3N4O4S — CID 59209834

IUPACN-ethyl-2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-N-(1-oxo-1-pyridin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCCN(C(=O)c1csc(C2CCN(C(=O)c3cccc(C)c3-c3ccc(OC(F)(F)F)cc3)CC2)n1)C(C)C(=O)c1ccccn1
InChIInChI=1S/C34H33F3N4O4S/c1-4-41(22(3)30(42)27-10-5-6-17-38-27)33(44)28-20-46-31(39-28)24-15-18-40(19-16-24)32(43)26-9-7-8-21(2)29(26)23-11-13-25(14-12-23)45-34(35,36)37/h5-14,17,20,22,24H,4,15-16,18-19H2,1-3H3
InChIKeyQHMUNDQWMFUZMH-UHFFFAOYSA-N
MW650.72 g/mol
LogP7.17
Rot. Bonds9

About N-ethyl-2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-N-(1-oxo-1-pyridin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide

N-ethyl-2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-N-(1-oxo-1-pyridin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 59209834) has the molecular formula C34H33F3N4O4S and a molecular weight of 650.72 g/mol. Its IUPAC name is N-ethyl-2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-N-(1-oxo-1-pyridin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-N-(1-oxo-1-pyridin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID59209834
Molecular FormulaC34H33F3N4O4S
Molecular Weight650.72 g/mol
Exact Mass650.22
IUPAC NameN-ethyl-2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-N-(1-oxo-1-pyridin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCCN(C(=O)c1csc(C2CCN(C(=O)c3cccc(C)c3-c3ccc(OC(F)(F)F)cc3)CC2)n1)C(C)C(=O)c1ccccn1
InChIInChI=1S/C34H33F3N4O4S/c1-4-41(22(3)30(42)27-10-5-6-17-38-27)33(44)28-20-46-31(39-28)24-15-18-40(19-16-24)32(43)26-9-7-8-21(2)29(26)23-11-13-25(14-12-23)45-34(35,36)37/h5-14,17,20,22,24H,4,15-16,18-19H2,1-3H3
InChIKeyQHMUNDQWMFUZMH-UHFFFAOYSA-N
XLogP7.17
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.72
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-N-(1-oxo-1-pyridin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-N-(1-oxo-1-pyridin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide (CID 59209834) is N-ethyl-2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-N-(1-oxo-1-pyridin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-N-(1-oxo-1-pyridin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-N-(1-oxo-1-pyridin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide is CCN(C(=O)c1csc(C2CCN(C(=O)c3cccc(C)c3-c3ccc(OC(F)(F)F)cc3)CC2)n1)C(C)C(=O)c1ccccn1.
What is the InChIKey of N-ethyl-2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-N-(1-oxo-1-pyridin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is QHMUNDQWMFUZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33F3N4O4S/c1-4-41(22(3)30(42)27-10-5-6-17-38-27)33(44)28-20-46-31(39-28)24-15-18-40(19-16-24)32(43)26-9-7-8-21(2)29(26)23-11-13-25(14-12-23)45-34(35,36)37/h5-14,17,20,22,24H,4,15-16,18-19H2,1-3H3.
What are the key properties of N-ethyl-2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-N-(1-oxo-1-pyridin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide?
N-ethyl-2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-N-(1-oxo-1-pyridin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 650.72 g/mol, XLogP of 7.17, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-N-(1-oxo-1-pyridin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59209834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).