6-(4-chlorophenyl)-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C12H9ClN2O2S — CID 135967763

IUPAC6-(4-chlorophenyl)-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c(-c2ccc(Cl)cc2)c(O)nc2n1CCS2
InChIInChI=1S/C12H9ClN2O2S/c13-8-3-1-7(2-4-8)9-10(16)14-12-15(11(9)17)5-6-18-12/h1-4,16H,5-6H2
InChIKeyFINFCNTXBAAOAN-UHFFFAOYSA-N
MW280.74 g/mol
LogP2.38
Rot. Bonds1

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

6-(4-chlorophenyl)-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135967763) has the molecular formula C12H9ClN2O2S and a molecular weight of 280.74 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID135967763
Molecular FormulaC12H9ClN2O2S
Molecular Weight280.74 g/mol
Exact Mass280.01
IUPAC Name6-(4-chlorophenyl)-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c(-c2ccc(Cl)cc2)c(O)nc2n1CCS2
InChIInChI=1S/C12H9ClN2O2S/c13-8-3-1-7(2-4-8)9-10(16)14-12-15(11(9)17)5-6-18-12/h1-4,16H,5-6H2
InChIKeyFINFCNTXBAAOAN-UHFFFAOYSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Nuclomedone
CID 128798
6-benzyl-7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 135415833
6-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3845245
N-[2-(4-chlorophenyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4644163
6-(4-chlorophenyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3682678
2-(4-Chlorophenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone
CID 4415633
6,6'-((4-chlorophenyl)methylene)bis(7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one)
CID 135533982
7-(4-Chlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
CID 684973
6-(4-fluorobenzyl)-7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 135645306
5-(2-chlorophenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 16433406
2-(4-chlorophenyl)-N-{7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl}acetamide
CID 16933445
3-allyl-2-[(4-chlorobenzyl)thio]-6-hydroxy-4(3H)-pyrimidinone
CID 135414759

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(4-chlorophenyl)-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 135967763) is 6-(4-chlorophenyl)-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-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(4-chlorophenyl)-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1c(-c2ccc(Cl)cc2)c(O)nc2n1CCS2.
What is the InChIKey of 6-(4-chlorophenyl)-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FINFCNTXBAAOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2S/c13-8-3-1-7(2-4-8)9-10(16)14-12-15(11(9)17)5-6-18-12/h1-4,16H,5-6H2.
What are the key properties of 6-(4-chlorophenyl)-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(4-chlorophenyl)-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 280.74 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135967763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).