2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carbaldehyde

C17H15F3N2O3S — CID 154065618

IUPAC2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(C2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C17H15F3N2O3S/c18-17(19,20)25-14-3-1-12(2-4-14)16(24)22-7-5-11(6-8-22)15-21-13(9-23)10-26-15/h1-4,9-11H,5-8H2
InChIKeyDOFVEVOMWPXMNB-UHFFFAOYSA-N
MW384.38 g/mol
LogP3.87
Rot. Bonds4

About 2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carbaldehyde

2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carbaldehyde (PubChem CID 154065618) has the molecular formula C17H15F3N2O3S and a molecular weight of 384.38 g/mol. Its IUPAC name is 2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carbaldehyde
PubChem CID154065618
Molecular FormulaC17H15F3N2O3S
Molecular Weight384.38 g/mol
Exact Mass384.08
IUPAC Name2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(C2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C17H15F3N2O3S/c18-17(19,20)25-14-3-1-12(2-4-14)16(24)22-7-5-11(6-8-22)15-21-13(9-23)10-26-15/h1-4,9-11H,5-8H2
InChIKeyDOFVEVOMWPXMNB-UHFFFAOYSA-N
XLogP3.87
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 3689654
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 47061060
4-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]quinazoline-7-carbaldehyde
CID 139473331
1-[2-[1-[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]ethanone
CID 142983084
methyl 4-[4-(4-formyl-1,3-thiazol-2-yl)piperidin-1-yl]-4-oxobutanoate
CID 142983150
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 119545556
[4-(7-methylquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 139466461
(3,4-dihydroxypyrrolidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 106671585
[4-(2-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 170734259
2-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 68991016
(3-aminopiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119380259
N-methyl-4-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]quinazoline-7-carboxamide
CID 139466585

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carbaldehyde (CID 154065618) is 2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carbaldehyde is O=Cc1csc(C2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)n1.
What is the InChIKey of 2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carbaldehyde?
The InChIKey is DOFVEVOMWPXMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3S/c18-17(19,20)25-14-3-1-12(2-4-14)16(24)22-7-5-11(6-8-22)15-21-13(9-23)10-26-15/h1-4,9-11H,5-8H2.
What are the key properties of 2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carbaldehyde?
2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carbaldehyde has a molecular weight of 384.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 154065618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).