1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidin-4-one

C10H9F3N2O2S — CID 84560090

IUPAC1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidin-4-one
SMILESO=C1CCN(C(=O)c2scnc2C(F)(F)F)CC1
InChIInChI=1S/C10H9F3N2O2S/c11-10(12,13)8-7(18-5-14-8)9(17)15-3-1-6(16)2-4-15/h5H,1-4H2
InChIKeyXUINHOWVPBRDHR-UHFFFAOYSA-N
MW278.25 g/mol
LogP1.97
Rot. Bonds1

About 1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidin-4-one

1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidin-4-one (PubChem CID 84560090) has the molecular formula C10H9F3N2O2S and a molecular weight of 278.25 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidin-4-one.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidin-4-one
PubChem CID84560090
Molecular FormulaC10H9F3N2O2S
Molecular Weight278.25 g/mol
Exact Mass278.03
IUPAC Name1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidin-4-one
SMILESO=C1CCN(C(=O)c2scnc2C(F)(F)F)CC1
InChIInChI=1S/C10H9F3N2O2S/c11-10(12,13)8-7(18-5-14-8)9(17)15-3-1-6(16)2-4-15/h5H,1-4H2
InChIKeyXUINHOWVPBRDHR-UHFFFAOYSA-N
XLogP1.97
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidin-4-one?
The IUPAC name of 1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidin-4-one (CID 84560090) is 1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidin-4-one.
What is the SMILES notation for 1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidin-4-one?
The canonical SMILES for 1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidin-4-one is O=C1CCN(C(=O)c2scnc2C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidin-4-one?
The InChIKey is XUINHOWVPBRDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2S/c11-10(12,13)8-7(18-5-14-8)9(17)15-3-1-6(16)2-4-15/h5H,1-4H2.
What are the key properties of 1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidin-4-one?
1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidin-4-one has a molecular weight of 278.25 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]piperidin-4-one is sourced from PubChem (CID 84560090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).