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

C12H9ClN2OS — CID 3682678

IUPAC6-(4-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c(-c2ccc(Cl)cc2)cnc2n1CCS2
InChIInChI=1S/C12H9ClN2OS/c13-9-3-1-8(2-4-9)10-7-14-12-15(11(10)16)5-6-17-12/h1-4,7H,5-6H2
InChIKeyOZIXZNTWDMHSAN-UHFFFAOYSA-N
MW264.74 g/mol
LogP2.67
Rot. Bonds1

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

6-(4-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 3682678) has the molecular formula C12H9ClN2OS and a molecular weight of 264.74 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID3682678
Molecular FormulaC12H9ClN2OS
Molecular Weight264.74 g/mol
Exact Mass264.01
IUPAC Name6-(4-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c(-c2ccc(Cl)cc2)cnc2n1CCS2
InChIInChI=1S/C12H9ClN2OS/c13-9-3-1-8(2-4-9)10-7-14-12-15(11(10)16)5-6-17-12/h1-4,7H,5-6H2
InChIKeyOZIXZNTWDMHSAN-UHFFFAOYSA-N
XLogP2.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Nuclomedone
CID 128798
6-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3845245
4-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 2083068
N-[2-(4-chlorophenyl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4644163
2-(4-Chlorophenyl)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone
CID 4415633
2-(4-Chlorophenyl)-1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4081040
7-(4-Chlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
CID 684973
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
4-[(4-chlorophenyl)methyl]-5-methyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one
CID 135817251
4-[(4-chlorophenyl)methyl]-5-ethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one
CID 135817252
5-(4-Chlorobenzyl)-2-methylthiopyrimid-4-one
CID 12945980

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(4-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 3682678) is 6-(4-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(4-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1c(-c2ccc(Cl)cc2)cnc2n1CCS2.
What is the InChIKey of 6-(4-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is OZIXZNTWDMHSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2OS/c13-9-3-1-8(2-4-9)10-7-14-12-15(11(10)16)5-6-17-12/h1-4,7H,5-6H2.
What are the key properties of 6-(4-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(4-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 264.74 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 3682678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).