[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone

C11H13F3N2O2S — CID 110028193

IUPAC[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
SMILESCc1nscc1C(=O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H13F3N2O2S/c1-7-8(6-19-15-7)9(17)16-4-2-10(18,3-5-16)11(12,13)14/h6,18H,2-5H2,1H3
InChIKeyQDTMWUAYIJVUDT-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.98
Rot. Bonds1

About [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone

[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone (PubChem CID 110028193) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
PubChem CID110028193
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
SMILESCc1nscc1C(=O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H13F3N2O2S/c1-7-8(6-19-15-7)9(17)16-4-2-10(18,3-5-16)11(12,13)14/h6,18H,2-5H2,1H3
InChIKeyQDTMWUAYIJVUDT-UHFFFAOYSA-N
XLogP1.98
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone?
The IUPAC name of [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone (CID 110028193) is [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone.
What is the SMILES notation for [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone?
The canonical SMILES for [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone is Cc1nscc1C(=O)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone?
The InChIKey is QDTMWUAYIJVUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c1-7-8(6-19-15-7)9(17)16-4-2-10(18,3-5-16)11(12,13)14/h6,18H,2-5H2,1H3.
What are the key properties of [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone?
[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone has a molecular weight of 294.30 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone is sourced from PubChem (CID 110028193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).