6-ethyl-7-methyl-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C17H20N2O3S2 — CID 6484332

IUPAC6-ethyl-7-methyl-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1c(C)nc2n(c1=O)C(CS(=O)(=O)c1ccc(C)cc1)CS2
InChIInChI=1S/C17H20N2O3S2/c1-4-15-12(3)18-17-19(16(15)20)13(9-23-17)10-24(21,22)14-7-5-11(2)6-8-14/h5-8,13H,4,9-10H2,1-3H3
InChIKeyZGEDWQYDFOTIQY-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.54
Rot. Bonds4

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

6-ethyl-7-methyl-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 6484332) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 6-ethyl-7-methyl-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-ethyl-7-methyl-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID6484332
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name6-ethyl-7-methyl-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1c(C)nc2n(c1=O)C(CS(=O)(=O)c1ccc(C)cc1)CS2
InChIInChI=1S/C17H20N2O3S2/c1-4-15-12(3)18-17-19(16(15)20)13(9-23-17)10-24(21,22)14-7-5-11(2)6-8-14/h5-8,13H,4,9-10H2,1-3H3
InChIKeyZGEDWQYDFOTIQY-UHFFFAOYSA-N
XLogP2.54
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-methyl-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-ethyl-7-methyl-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 6484332) is 6-ethyl-7-methyl-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-ethyl-7-methyl-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-ethyl-7-methyl-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCc1c(C)nc2n(c1=O)C(CS(=O)(=O)c1ccc(C)cc1)CS2.
What is the InChIKey of 6-ethyl-7-methyl-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ZGEDWQYDFOTIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-4-15-12(3)18-17-19(16(15)20)13(9-23-17)10-24(21,22)14-7-5-11(2)6-8-14/h5-8,13H,4,9-10H2,1-3H3.
What are the key properties of 6-ethyl-7-methyl-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-ethyl-7-methyl-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 364.49 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-methyl-3-[(4-methylphenyl)sulfonylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 6484332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).