6-[(4-chlorophenyl)methyl]-7-trimethylsilyloxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C16H19ClN2O2SSi — CID 91743958

IUPAC6-[(4-chlorophenyl)methyl]-7-trimethylsilyloxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESC[Si](C)(C)Oc1nc2n(c(=O)c1Cc1ccc(Cl)cc1)CCS2
InChIInChI=1S/C16H19ClN2O2SSi/c1-23(2,3)21-14-13(10-11-4-6-12(17)7-5-11)15(20)19-8-9-22-16(19)18-14/h4-7H,8-10H2,1-3H3
InChIKeyUHWPGSIMQZKPSJ-UHFFFAOYSA-N
MW366.95 g/mol
LogP3.81
Rot. Bonds4

About 6-[(4-chlorophenyl)methyl]-7-trimethylsilyloxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[(4-chlorophenyl)methyl]-7-trimethylsilyloxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 91743958) has the molecular formula C16H19ClN2O2SSi and a molecular weight of 366.95 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]-7-trimethylsilyloxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]-7-trimethylsilyloxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID91743958
Molecular FormulaC16H19ClN2O2SSi
Molecular Weight366.95 g/mol
Exact Mass366.06
IUPAC Name6-[(4-chlorophenyl)methyl]-7-trimethylsilyloxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESC[Si](C)(C)Oc1nc2n(c(=O)c1Cc1ccc(Cl)cc1)CCS2
InChIInChI=1S/C16H19ClN2O2SSi/c1-23(2,3)21-14-13(10-11-4-6-12(17)7-5-11)15(20)19-8-9-22-16(19)18-14/h4-7H,8-10H2,1-3H3
InChIKeyUHWPGSIMQZKPSJ-UHFFFAOYSA-N
XLogP3.81
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.95
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl]-7-trimethylsilyloxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[(4-chlorophenyl)methyl]-7-trimethylsilyloxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 91743958) is 6-[(4-chlorophenyl)methyl]-7-trimethylsilyloxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]-7-trimethylsilyloxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]-7-trimethylsilyloxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is C[Si](C)(C)Oc1nc2n(c(=O)c1Cc1ccc(Cl)cc1)CCS2.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]-7-trimethylsilyloxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is UHWPGSIMQZKPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2SSi/c1-23(2,3)21-14-13(10-11-4-6-12(17)7-5-11)15(20)19-8-9-22-16(19)18-14/h4-7H,8-10H2,1-3H3.
What are the key properties of 6-[(4-chlorophenyl)methyl]-7-trimethylsilyloxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[(4-chlorophenyl)methyl]-7-trimethylsilyloxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 366.95 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]-7-trimethylsilyloxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 91743958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).