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

C20H18N4O4S2 — CID 135401480

IUPAC7-hydroxy-6-[(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-(4-methylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccc(C(c2c(O)nc3n(c2=O)CCS3)c2c(O)nc3n(c2=O)CCS3)cc1
InChIInChI=1S/C20H18N4O4S2/c1-10-2-4-11(5-3-10)12(13-15(25)21-19-23(17(13)27)6-8-29-19)14-16(26)22-20-24(18(14)28)7-9-30-20/h2-5,12,25-26H,6-9H2,1H3
InChIKeyIISHQFOAYDWQCK-UHFFFAOYSA-N
MW442.52 g/mol
LogP1.91
Rot. Bonds3

About 7-hydroxy-6-[(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-(4-methylphenyl)methyl]-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)-(4-methylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135401480) has the molecular formula C20H18N4O4S2 and a molecular weight of 442.52 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)-(4-methylphenyl)methyl]-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)-(4-methylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID135401480
Molecular FormulaC20H18N4O4S2
Molecular Weight442.52 g/mol
Exact Mass442.08
IUPAC Name7-hydroxy-6-[(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-(4-methylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccc(C(c2c(O)nc3n(c2=O)CCS3)c2c(O)nc3n(c2=O)CCS3)cc1
InChIInChI=1S/C20H18N4O4S2/c1-10-2-4-11(5-3-10)12(13-15(25)21-19-23(17(13)27)6-8-29-19)14-16(26)22-20-24(18(14)28)7-9-30-20/h2-5,12,25-26H,6-9H2,1H3
InChIKeyIISHQFOAYDWQCK-UHFFFAOYSA-N
XLogP1.91
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 51.91
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)-(4-methylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-benzyl-7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 135415833
6,6'-((4-bromophenyl)methylene)bis(7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one)
CID 135443942
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'-(naphthalen-1-ylmethylene)bis(7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one)
CID 135491581
7,7'-(phenylmethylene)bis(8-hydroxy-3,4-dihydropyrimido[2,1-b][1,3]thiazin-6(2H)-one)
CID 135427821
6,6'-((4-chlorophenyl)methylene)bis(7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one)
CID 135533982
6-benzhydryl-7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 135503289
7-hydroxy-6-(4-methylbenzyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 135474968
5,5'-[(4-fluorophenyl)methylene]bis[6-hydroxy-3-methyl-2-(methylthio)-4(3H)-pyrimidinone]
CID 135403427
6,6'-((2-fluorophenyl)methylene)bis(7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one)
CID 135511817
3-allyl-5-benzyl-6-hydroxy-2-(isobutylthio)-4(3H)-pyrimidinone
CID 135438989

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)-(4-methylphenyl)methyl]-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)-(4-methylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 135401480) is 7-hydroxy-6-[(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-(4-methylphenyl)methyl]-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)-(4-methylphenyl)methyl]-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)-(4-methylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1ccc(C(c2c(O)nc3n(c2=O)CCS3)c2c(O)nc3n(c2=O)CCS3)cc1.
What is the InChIKey of 7-hydroxy-6-[(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-(4-methylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is IISHQFOAYDWQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S2/c1-10-2-4-11(5-3-10)12(13-15(25)21-19-23(17(13)27)6-8-29-19)14-16(26)22-20-24(18(14)28)7-9-30-20/h2-5,12,25-26H,6-9H2,1H3.
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)-(4-methylphenyl)methyl]-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)-(4-methylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 442.52 g/mol, XLogP of 1.91, 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)-(4-methylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135401480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).