6-[(4-chlorophenyl)-(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

C19H15ClN4O4S2 — CID 135533982

IUPAC6-[(4-chlorophenyl)-(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)cc2)c2c(O)nc3n(c2=O)CCS3)c(O)nc2n1CCS2
InChIInChI=1S/C19H15ClN4O4S2/c20-10-3-1-9(2-4-10)11(12-14(25)21-18-23(16(12)27)5-7-29-18)13-15(26)22-19-24(17(13)28)6-8-30-19/h1-4,11,25-26H,5-8H2
InChIKeyOBGMSSLHQMHMSB-UHFFFAOYSA-N
MW462.94 g/mol
LogP2.26
Rot. Bonds3

About 6-[(4-chlorophenyl)-(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-[(4-chlorophenyl)-(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 135533982) has the molecular formula C19H15ClN4O4S2 and a molecular weight of 462.94 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-(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-[(4-chlorophenyl)-(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 CID135533982
Molecular FormulaC19H15ClN4O4S2
Molecular Weight462.94 g/mol
Exact Mass462.02
IUPAC Name6-[(4-chlorophenyl)-(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)cc2)c2c(O)nc3n(c2=O)CCS3)c(O)nc2n1CCS2
InChIInChI=1S/C19H15ClN4O4S2/c20-10-3-1-9(2-4-10)11(12-14(25)21-18-23(16(12)27)5-7-29-18)13-15(26)22-19-24(17(13)28)6-8-30-19/h1-4,11,25-26H,5-8H2
InChIKeyOBGMSSLHQMHMSB-UHFFFAOYSA-N
XLogP2.26
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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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
7-[(4-chlorophenyl)(8-hydroxy-6-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-7-yl)methyl]-8-hydroxy-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 135406221
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-(2-chlorobenzyl)-7-hydroxy-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 135645308
6-(4-chlorobenzyl)-7-hydroxy-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 135645309
6,6'-((2-fluorophenyl)methylene)bis(7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one)
CID 135511817
6-(4-Chlorobenzyl)-7-[(trimethylsilyl)oxy]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91743958
6-(4-Chlorophenyl)-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 135967763
12-Amino-10-(4-chlorophenyl)-8-oxo-13-oxa-4-thia-2,7-diazatricyclo[7.4.0.03,7]trideca-1(9),2,11-triene-11-carbonitrile
CID 163363302
5,5'-[(4-chlorophenyl)methylene]bis[6-hydroxy-2-(propylthio)-4(3H)-pyrimidinone]
CID 2929655
7-Amino-6-[(4-chlorophenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 10447136

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-(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-[(4-chlorophenyl)-(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 135533982) is 6-[(4-chlorophenyl)-(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-[(4-chlorophenyl)-(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-[(4-chlorophenyl)-(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)cc2)c2c(O)nc3n(c2=O)CCS3)c(O)nc2n1CCS2.
What is the InChIKey of 6-[(4-chlorophenyl)-(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 OBGMSSLHQMHMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O4S2/c20-10-3-1-9(2-4-10)11(12-14(25)21-18-23(16(12)27)5-7-29-18)13-15(26)22-19-24(17(13)28)6-8-30-19/h1-4,11,25-26H,5-8H2.
What are the key properties of 6-[(4-chlorophenyl)-(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-[(4-chlorophenyl)-(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 462.94 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-(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 135533982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).