4,4,4-trifluoro-1-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one

C18H19F3N2OS — CID 56946370

IUPAC4,4,4-trifluoro-1-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
SMILESO=C(CCC(F)(F)F)N1CCC(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C18H19F3N2OS/c19-18(20,21)9-6-16(24)23-10-7-14(8-11-23)17-22-15(12-25-17)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2
InChIKeyGGFAQAROOVLUGW-UHFFFAOYSA-N
MW368.42 g/mol
LogP4.86
Rot. Bonds4

About 4,4,4-trifluoro-1-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one

4,4,4-trifluoro-1-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one (PubChem CID 56946370) has the molecular formula C18H19F3N2OS and a molecular weight of 368.42 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
PubChem CID56946370
Molecular FormulaC18H19F3N2OS
Molecular Weight368.42 g/mol
Exact Mass368.12
IUPAC Name4,4,4-trifluoro-1-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
SMILESO=C(CCC(F)(F)F)N1CCC(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C18H19F3N2OS/c19-18(20,21)9-6-16(24)23-10-7-14(8-11-23)17-22-15(12-25-17)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2
InChIKeyGGFAQAROOVLUGW-UHFFFAOYSA-N
XLogP4.86
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591198
N-(cyanomethyl)-4-methyl-2-(2-phenyl-1,3-thiazol-4-yl)pentanamide
CID 11034349
3,3-dimethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 7152314
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 3244200
N-(2-(2-phenylthiazol-4-yl)ethyl)cyclopentanecarboxamide
CID 18554625
N-(2-(2-phenylthiazol-4-yl)ethyl)cyclohexanecarboxamide
CID 22583820
1-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44143946
1-[4-(2-Fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144338
1-[4-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907749
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 92131180
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 118514488
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 118524279

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one (CID 56946370) is 4,4,4-trifluoro-1-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one is O=C(CCC(F)(F)F)N1CCC(c2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of 4,4,4-trifluoro-1-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
The InChIKey is GGFAQAROOVLUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2OS/c19-18(20,21)9-6-16(24)23-10-7-14(8-11-23)17-22-15(12-25-17)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2.
What are the key properties of 4,4,4-trifluoro-1-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one?
4,4,4-trifluoro-1-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one has a molecular weight of 368.42 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 56946370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).