1,3-thiazolidin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone

C10H15F3N2OS — CID 54936762

IUPAC1,3-thiazolidin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(C1CSCN1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2OS/c11-10(12,13)7-2-1-3-15(4-7)9(16)8-5-17-6-14-8/h7-8,14H,1-6H2
InChIKeyBQYUHUYXJKJEFD-UHFFFAOYSA-N
MW268.30 g/mol
LogP1.45
Rot. Bonds1

About 1,3-thiazolidin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone

1,3-thiazolidin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 54936762) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is 1,3-thiazolidin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-thiazolidin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID54936762
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC Name1,3-thiazolidin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(C1CSCN1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2OS/c11-10(12,13)7-2-1-3-15(4-7)9(16)8-5-17-6-14-8/h7-8,14H,1-6H2
InChIKeyBQYUHUYXJKJEFD-UHFFFAOYSA-N
XLogP1.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazolidin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of 1,3-thiazolidin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 54936762) is 1,3-thiazolidin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-thiazolidin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1,3-thiazolidin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(C1CSCN1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1,3-thiazolidin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is BQYUHUYXJKJEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c11-10(12,13)7-2-1-3-15(4-7)9(16)8-5-17-6-14-8/h7-8,14H,1-6H2.
What are the key properties of 1,3-thiazolidin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
1,3-thiazolidin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 268.30 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazolidin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 54936762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).