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

C21H20N4O6S2 — CID 135463080

IUPAC6-[(3,4-dimethoxyphenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1ccc(C(c2c(O)nc3n(c2=O)CCS3)c2c(O)nc3n(c2=O)CCS3)cc1OC
InChIInChI=1S/C21H20N4O6S2/c1-30-11-4-3-10(9-12(11)31-2)13(14-16(26)22-20-24(18(14)28)5-7-32-20)15-17(27)23-21-25(19(15)29)6-8-33-21/h3-4,9,13,26-27H,5-8H2,1-2H3
InChIKeyHJRHZJAEXZXABN-UHFFFAOYSA-N
MW488.55 g/mol
LogP1.62
Rot. Bonds5

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

6-[(3,4-dimethoxyphenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135463080) has the molecular formula C21H20N4O6S2 and a molecular weight of 488.55 g/mol. Its IUPAC name is 6-[(3,4-dimethoxyphenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[(3,4-dimethoxyphenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID135463080
Molecular FormulaC21H20N4O6S2
Molecular Weight488.55 g/mol
Exact Mass488.08
IUPAC Name6-[(3,4-dimethoxyphenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1ccc(C(c2c(O)nc3n(c2=O)CCS3)c2c(O)nc3n(c2=O)CCS3)cc1OC
InChIInChI=1S/C21H20N4O6S2/c1-30-11-4-3-10(9-12(11)31-2)13(14-16(26)22-20-24(18(14)28)5-7-32-20)15-17(27)23-21-25(19(15)29)6-8-33-21/h3-4,9,13,26-27H,5-8H2,1-2H3
InChIKeyHJRHZJAEXZXABN-UHFFFAOYSA-N
XLogP1.62
TPSA128.70 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.55
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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

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Related Compounds

1-[1-(3,4-dimethoxyphenyl)ethyl]piperidin-4-one
CID 82024193
7-methyl-6-[(4-propan-2-ylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4904505
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
2-[bis(3,4-dimethoxyphenyl)methyl]naphthalene
CID 56601628
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
CID 11042831
4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749
3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-4-hydroxy-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 54729241
3-(3,4-dimethoxyphenyl)pentane-1,5-diol
CID 15691833
2-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 142888646
2-[(4-ethoxy-3-methoxyphenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
CID 1299439
ethyl 3-[(3,4-dimethoxyphenyl)-(3-ethoxycarbonyl-2-hydroxyazulen-1-yl)methyl]-2-hydroxyazulene-1-carboxylate
CID 141350342
(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171182890

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dimethoxyphenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[(3,4-dimethoxyphenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 135463080) is 6-[(3,4-dimethoxyphenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[(3,4-dimethoxyphenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[(3,4-dimethoxyphenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is COc1ccc(C(c2c(O)nc3n(c2=O)CCS3)c2c(O)nc3n(c2=O)CCS3)cc1OC.
What is the InChIKey of 6-[(3,4-dimethoxyphenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HJRHZJAEXZXABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O6S2/c1-30-11-4-3-10(9-12(11)31-2)13(14-16(26)22-20-24(18(14)28)5-7-32-20)15-17(27)23-21-25(19(15)29)6-8-33-21/h3-4,9,13,26-27H,5-8H2,1-2H3.
What are the key properties of 6-[(3,4-dimethoxyphenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[(3,4-dimethoxyphenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 488.55 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dimethoxyphenyl)-(7-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135463080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).