6-[3-(trifluoromethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C13H14F3N3O2S — CID 24652491

IUPAC6-[3-(trifluoromethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2n(c1=O)CCS2)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H14F3N3O2S/c14-13(15,16)8-2-1-3-18(7-8)10(20)9-6-17-12-19(11(9)21)4-5-22-12/h6,8H,1-5,7H2
InChIKeyXADPXQZJCUSAMG-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.76
Rot. Bonds1

About 6-[3-(trifluoromethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[3-(trifluoromethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 24652491) has the molecular formula C13H14F3N3O2S and a molecular weight of 333.34 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID24652491
Molecular FormulaC13H14F3N3O2S
Molecular Weight333.34 g/mol
Exact Mass333.08
IUPAC Name6-[3-(trifluoromethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2n(c1=O)CCS2)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H14F3N3O2S/c14-13(15,16)8-2-1-3-18(7-8)10(20)9-6-17-12-19(11(9)21)4-5-22-12/h6,8H,1-5,7H2
InChIKeyXADPXQZJCUSAMG-UHFFFAOYSA-N
XLogP1.76
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[3-(trifluoromethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 24652491) is 6-[3-(trifluoromethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[3-(trifluoromethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[3-(trifluoromethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2n(c1=O)CCS2)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 6-[3-(trifluoromethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is XADPXQZJCUSAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2S/c14-13(15,16)8-2-1-3-18(7-8)10(20)9-6-17-12-19(11(9)21)4-5-22-12/h6,8H,1-5,7H2.
What are the key properties of 6-[3-(trifluoromethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[3-(trifluoromethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 333.34 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 24652491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).