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

C23H18N4O4S2 — CID 135491581

IUPAC7-hydroxy-6-[(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-naphthalen-1-ylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c(C(c2c(O)nc3n(c2=O)CCS3)c2cccc3ccccc23)c(O)nc2n1CCS2
InChIInChI=1S/C23H18N4O4S2/c28-18-16(20(30)26-8-10-32-22(26)24-18)15(14-7-3-5-12-4-1-2-6-13(12)14)17-19(29)25-23-27(21(17)31)9-11-33-23/h1-7,15,28-29H,8-11H2
InChIKeyLJAUHIHUVMRXJF-UHFFFAOYSA-N
MW478.56 g/mol
LogP2.76
Rot. Bonds3

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

7-hydroxy-6-[(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-naphthalen-1-ylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135491581) has the molecular formula C23H18N4O4S2 and a molecular weight of 478.56 g/mol. Its IUPAC name is 7-hydroxy-6-[(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-naphthalen-1-ylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-hydroxy-6-[(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-naphthalen-1-ylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID135491581
Molecular FormulaC23H18N4O4S2
Molecular Weight478.56 g/mol
Exact Mass478.08
IUPAC Name7-hydroxy-6-[(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-naphthalen-1-ylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c(C(c2c(O)nc3n(c2=O)CCS3)c2cccc3ccccc23)c(O)nc2n1CCS2
InChIInChI=1S/C23H18N4O4S2/c28-18-16(20(30)26-8-10-32-22(26)24-18)15(14-7-3-5-12-4-1-2-6-13(12)14)17-19(29)25-23-27(21(17)31)9-11-33-23/h1-7,15,28-29H,8-11H2
InChIKeyLJAUHIHUVMRXJF-UHFFFAOYSA-N
XLogP2.76
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Related Compounds

6,6'-((4-fluorophenyl)methylene)bis(7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one)
CID 135478180
6,6'-(phenylmethylene)bis(7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one)
CID 135476856
6,6'-(p-tolylmethylene)bis(7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one)
CID 135401480
6-benzhydryl-7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 135503289
6,6'-((2-fluorophenyl)methylene)bis(7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one)
CID 135511817
12-Amino-10-naphthalen-1-yl-8-oxo-13-oxa-4-thia-2,7-diazatricyclo[7.4.0.03,7]trideca-1(9),2,11-triene-11-carbonitrile
CID 175736106
6-hydroxy-5-(naphthalen-1-ylmethyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one
CID 17019882
7-Methyl-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17122094
7,7'-(naphthalen-1-ylmethylene)bis(8-hydroxy-3,4-dihydropyrimido[2,1-b][1,3]thiazin-6(2H)-one)
CID 135492050
7-Hydroxy-6-(naphthalen-1-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 135762355

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-[(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-naphthalen-1-ylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-hydroxy-6-[(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-naphthalen-1-ylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 135491581) is 7-hydroxy-6-[(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-naphthalen-1-ylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-hydroxy-6-[(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-naphthalen-1-ylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-hydroxy-6-[(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-naphthalen-1-ylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1c(C(c2c(O)nc3n(c2=O)CCS3)c2cccc3ccccc23)c(O)nc2n1CCS2.
What is the InChIKey of 7-hydroxy-6-[(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-naphthalen-1-ylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is LJAUHIHUVMRXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O4S2/c28-18-16(20(30)26-8-10-32-22(26)24-18)15(14-7-3-5-12-4-1-2-6-13(12)14)17-19(29)25-23-27(21(17)31)9-11-33-23/h1-7,15,28-29H,8-11H2.
What are the key properties of 7-hydroxy-6-[(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-naphthalen-1-ylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-hydroxy-6-[(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-naphthalen-1-ylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 478.56 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-[(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-naphthalen-1-ylmethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135491581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).