7-methyl-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H16N2OS — CID 17122094

IUPAC7-methyl-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2n(c(=O)c1Cc1cccc3ccccc13)CCS2
InChIInChI=1S/C18H16N2OS/c1-12-16(17(21)20-9-10-22-18(20)19-12)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8H,9-11H2,1H3
InChIKeyACMOYRBWDRGKBE-UHFFFAOYSA-N
MW308.41 g/mol
LogP3.40
Rot. Bonds2

About 7-methyl-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-methyl-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 17122094) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 7-methyl-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID17122094
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name7-methyl-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2n(c(=O)c1Cc1cccc3ccccc13)CCS2
InChIInChI=1S/C18H16N2OS/c1-12-16(17(21)20-9-10-22-18(20)19-12)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8H,9-11H2,1H3
InChIKeyACMOYRBWDRGKBE-UHFFFAOYSA-N
XLogP3.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 17122094) is 7-methyl-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2n(c(=O)c1Cc1cccc3ccccc13)CCS2.
What is the InChIKey of 7-methyl-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ACMOYRBWDRGKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-12-16(17(21)20-9-10-22-18(20)19-12)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8H,9-11H2,1H3.
What are the key properties of 7-methyl-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-methyl-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 308.41 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 17122094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).