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

C17H14N2O2S — CID 135762355

IUPAC7-hydroxy-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c(Cc2cccc3ccccc23)c(O)nc2n1CCS2
InChIInChI=1S/C17H14N2O2S/c20-15-14(16(21)19-8-9-22-17(19)18-15)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,20H,8-10H2
InChIKeyKRMXTTUNCBVWML-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.80
Rot. Bonds2

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

7-hydroxy-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135762355) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 7-hydroxy-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-hydroxy-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID135762355
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name7-hydroxy-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c(Cc2cccc3ccccc23)c(O)nc2n1CCS2
InChIInChI=1S/C17H14N2O2S/c20-15-14(16(21)19-8-9-22-17(19)18-15)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,20H,8-10H2
InChIKeyKRMXTTUNCBVWML-UHFFFAOYSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-hydroxy-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 135762355) is 7-hydroxy-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-hydroxy-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-hydroxy-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1c(Cc2cccc3ccccc23)c(O)nc2n1CCS2.
What is the InChIKey of 7-hydroxy-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is KRMXTTUNCBVWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c20-15-14(16(21)19-8-9-22-17(19)18-15)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,20H,8-10H2.
What are the key properties of 7-hydroxy-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-hydroxy-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 310.38 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135762355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).