7-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C10H9F3N2O2S2 — CID 99832529

IUPAC7-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CSC[C@H](O)C(F)(F)F)nc2sccn12
InChIInChI=1S/C10H9F3N2O2S2/c11-10(12,13)7(16)5-18-4-6-3-8(17)15-1-2-19-9(15)14-6/h1-3,7,16H,4-5H2/t7-/m0/s1
InChIKeyHTKOWVFOVFYIFS-ZETCQYMHSA-N
MW310.32 g/mol
LogP1.91
Rot. Bonds4

About 7-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 99832529) has the molecular formula C10H9F3N2O2S2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 7-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID99832529
Molecular FormulaC10H9F3N2O2S2
Molecular Weight310.32 g/mol
Exact Mass310.01
IUPAC Name7-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CSC[C@H](O)C(F)(F)F)nc2sccn12
InChIInChI=1S/C10H9F3N2O2S2/c11-10(12,13)7(16)5-18-4-6-3-8(17)15-1-2-19-9(15)14-6/h1-3,7,16H,4-5H2/t7-/m0/s1
InChIKeyHTKOWVFOVFYIFS-ZETCQYMHSA-N
XLogP1.91
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 99832529) is 7-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CSC[C@H](O)C(F)(F)F)nc2sccn12.
What is the InChIKey of 7-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HTKOWVFOVFYIFS-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H9F3N2O2S2/c11-10(12,13)7(16)5-18-4-6-3-8(17)15-1-2-19-9(15)14-6/h1-3,7,16H,4-5H2/t7-/m0/s1.
What are the key properties of 7-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 310.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 99832529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).