7-(chloromethyl)-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C13H9ClN2OS — CID 2363746

IUPAC7-(chloromethyl)-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CCl)nc2scc(-c3ccccc3)n12
InChIInChI=1S/C13H9ClN2OS/c14-7-10-6-12(17)16-11(8-18-13(16)15-10)9-4-2-1-3-5-9/h1-6,8H,7H2
InChIKeyHWABSWUKDMJGDF-UHFFFAOYSA-N
MW276.75 g/mol
LogP3.16
Rot. Bonds2

About 7-(chloromethyl)-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-(chloromethyl)-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2363746) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 7-(chloromethyl)-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(chloromethyl)-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2363746
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name7-(chloromethyl)-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CCl)nc2scc(-c3ccccc3)n12
InChIInChI=1S/C13H9ClN2OS/c14-7-10-6-12(17)16-11(8-18-13(16)15-10)9-4-2-1-3-5-9/h1-6,8H,7H2
InChIKeyHWABSWUKDMJGDF-UHFFFAOYSA-N
XLogP3.16
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(4-Chlorophenyl)-7-methyl-5H-pyrimido[2,1-b][1,3]thiazol-5-one
CID 319068
3-Benzyl-2-ethylsulfanyl-6-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 3245315
7-[[Bis(prop-2-enyl)amino]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4782338
3-(4-Chlorophenyl)-7-methyl-6-propyl-5H-pyrimido[2,1-b][1,3]thiazol-5-one
CID 330530
7-Methoxy-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 658148
3-Benzyl-6-methyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 3237667
5-Phenyl-7H-(1,3)thiazolo(3,2-A)pyrimidin-7-one
CID 12436915
7-({[(4-Chlorophenyl)methyl]sulfanyl}methyl)-3-phenyl-5H-[1,3]thiazolo[3,2-A]pyrimidin-5-one
CID 20873953
3,7-Diphenyl-5H-pyrimido[2,1-b][1,3]thiazol-5-one
CID 623989
3-(4-Chlorophenyl)-7-phenyl-5H-pyrimido[2,1-b][1,3]thiazol-5-one
CID 630853
5-oxo-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 16767102
7-methyl-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 319066

Frequently Asked Questions

What is the IUPAC name of 7-(chloromethyl)-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(chloromethyl)-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2363746) is 7-(chloromethyl)-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(chloromethyl)-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(chloromethyl)-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CCl)nc2scc(-c3ccccc3)n12.
What is the InChIKey of 7-(chloromethyl)-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HWABSWUKDMJGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c14-7-10-6-12(17)16-11(8-18-13(16)15-10)9-4-2-1-3-5-9/h1-6,8H,7H2.
What are the key properties of 7-(chloromethyl)-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(chloromethyl)-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 276.75 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2363746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).