[4-(1,3-thiazol-2-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone

C15H13F3N2OS — CID 110289798

IUPAC[4-(1,3-thiazol-2-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1F)N1CCC(c2nccs2)CC1
InChIInChI=1S/C15H13F3N2OS/c16-11-2-1-10(12(17)13(11)18)15(21)20-6-3-9(4-7-20)14-19-5-8-22-14/h1-2,5,8-9H,3-4,6-7H2
InChIKeyYRWULYCTKHTHCV-UHFFFAOYSA-N
MW326.34 g/mol
LogP3.58
Rot. Bonds2

About [4-(1,3-thiazol-2-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone

[4-(1,3-thiazol-2-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone (PubChem CID 110289798) has the molecular formula C15H13F3N2OS and a molecular weight of 326.34 g/mol. Its IUPAC name is [4-(1,3-thiazol-2-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name[4-(1,3-thiazol-2-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
PubChem CID110289798
Molecular FormulaC15H13F3N2OS
Molecular Weight326.34 g/mol
Exact Mass326.07
IUPAC Name[4-(1,3-thiazol-2-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1F)N1CCC(c2nccs2)CC1
InChIInChI=1S/C15H13F3N2OS/c16-11-2-1-10(12(17)13(11)18)15(21)20-6-3-9(4-7-20)14-19-5-8-22-14/h1-2,5,8-9H,3-4,6-7H2
InChIKeyYRWULYCTKHTHCV-UHFFFAOYSA-N
XLogP3.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-6-fluorophenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110289794
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110289749
(2-chloro-7-fluoroquinolin-3-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110308220
(4-aminopiperidin-1-yl)-(2,3,4-trifluorophenyl)methanone;hydrochloride
CID 119374876
(2S)-2-(2-fluorophenyl)-2-methoxy-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124890634
cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 71692447
(5-bromo-2-methoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110628740
1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71692446
(4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 143718408
[4-(azepan-1-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110667097
(3,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110289762
N'-hydroxy-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboximidamide
CID 79754702

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-thiazol-2-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of [4-(1,3-thiazol-2-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone (CID 110289798) is [4-(1,3-thiazol-2-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for [4-(1,3-thiazol-2-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for [4-(1,3-thiazol-2-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone is O=C(c1ccc(F)c(F)c1F)N1CCC(c2nccs2)CC1.
What is the InChIKey of [4-(1,3-thiazol-2-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone?
The InChIKey is YRWULYCTKHTHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2OS/c16-11-2-1-10(12(17)13(11)18)15(21)20-6-3-9(4-7-20)14-19-5-8-22-14/h1-2,5,8-9H,3-4,6-7H2.
What are the key properties of [4-(1,3-thiazol-2-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone?
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone has a molecular weight of 326.34 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-thiazol-2-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 110289798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).