6-[(2,4-dichlorophenyl)-(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

C19H14Cl2N4O4S2 — CID 135481571

IUPAC6-[(2,4-dichlorophenyl)-(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
SMILESO=c1c(C(c2ccc(Cl)cc2Cl)c2c(O)nc3n(c2=O)CCS3)c(O)nc2n1CCS2
InChIInChI=1S/C19H14Cl2N4O4S2/c20-8-1-2-9(10(21)7-8)11(12-14(26)22-18-24(16(12)28)3-5-30-18)13-15(27)23-19-25(17(13)29)4-6-31-19/h1-2,7,11,26-27H,3-6H2
InChIKeyHKZMNDLTGHCLGR-UHFFFAOYSA-N
MW497.39 g/mol
LogP2.91
Rot. Bonds3

About 6-[(2,4-dichlorophenyl)-(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-[(2,4-dichlorophenyl)-(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 135481571) has the molecular formula C19H14Cl2N4O4S2 and a molecular weight of 497.39 g/mol. Its IUPAC name is 6-[(2,4-dichlorophenyl)-(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-[(2,4-dichlorophenyl)-(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 CID135481571
Molecular FormulaC19H14Cl2N4O4S2
Molecular Weight497.39 g/mol
Exact Mass495.98
IUPAC Name6-[(2,4-dichlorophenyl)-(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
SMILESO=c1c(C(c2ccc(Cl)cc2Cl)c2c(O)nc3n(c2=O)CCS3)c(O)nc2n1CCS2
InChIInChI=1S/C19H14Cl2N4O4S2/c20-8-1-2-9(10(21)7-8)11(12-14(26)22-18-24(16(12)28)3-5-30-18)13-15(27)23-19-25(17(13)29)4-6-31-19/h1-2,7,11,26-27H,3-6H2
InChIKeyHKZMNDLTGHCLGR-UHFFFAOYSA-N
XLogP2.91
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[(2,4-dichlorophenyl)-(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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Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dichlorophenyl)-(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-[(2,4-dichlorophenyl)-(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 135481571) is 6-[(2,4-dichlorophenyl)-(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-[(2,4-dichlorophenyl)-(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-[(2,4-dichlorophenyl)-(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 O=c1c(C(c2ccc(Cl)cc2Cl)c2c(O)nc3n(c2=O)CCS3)c(O)nc2n1CCS2.
What is the InChIKey of 6-[(2,4-dichlorophenyl)-(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 HKZMNDLTGHCLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O4S2/c20-8-1-2-9(10(21)7-8)11(12-14(26)22-18-24(16(12)28)3-5-30-18)13-15(27)23-19-25(17(13)29)4-6-31-19/h1-2,7,11,26-27H,3-6H2.
What are the key properties of 6-[(2,4-dichlorophenyl)-(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-[(2,4-dichlorophenyl)-(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 497.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dichlorophenyl)-(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 135481571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).