5-(4-chlorophenyl)-7-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

C19H15ClN2OS — CID 4066312

IUPAC5-(4-chlorophenyl)-7-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESCc1ccc(C2=CC(c3ccc(Cl)cc3)N3C(=O)CSC3=N2)cc1
InChIInChI=1S/C19H15ClN2OS/c1-12-2-4-13(5-3-12)16-10-17(14-6-8-15(20)9-7-14)22-18(23)11-24-19(22)21-16/h2-10,17H,11H2,1H3
InChIKeyKNQYUOKPQJPHSL-UHFFFAOYSA-N
MW354.86 g/mol
LogP4.68
Rot. Bonds2

About 5-(4-chlorophenyl)-7-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

5-(4-chlorophenyl)-7-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (PubChem CID 4066312) has the molecular formula C19H15ClN2OS and a molecular weight of 354.86 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
PubChem CID4066312
Molecular FormulaC19H15ClN2OS
Molecular Weight354.86 g/mol
Exact Mass354.06
IUPAC Name5-(4-chlorophenyl)-7-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESCc1ccc(C2=CC(c3ccc(Cl)cc3)N3C(=O)CSC3=N2)cc1
InChIInChI=1S/C19H15ClN2OS/c1-12-2-4-13(5-3-12)16-10-17(14-6-8-15(20)9-7-14)22-18(23)11-24-19(22)21-16/h2-10,17H,11H2,1H3
InChIKeyKNQYUOKPQJPHSL-UHFFFAOYSA-N
XLogP4.68
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-(4-methoxyphenyl)-7-naphthalen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 51426962
(5S)-5-(1,3-diphenylpyrazol-4-yl)-7-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 40781002
6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methylphenyl)-4H-triazine
CID 134916199
5-(4-chlorophenyl)-2-[(4-methylphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23944728
5-(4-chlorophenyl)-7-(3,4-dimethylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione
CID 16751601
ethyl 7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2885717
2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-4,6-diphenyl-4H-pyrimidine
CID 102126195
7-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine
CID 155816095
7-(3,4-dimethylphenyl)-5-(4-methylphenyl)-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-3,6-dione
CID 16751602
7-(4-methylphenyl)-5-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine
CID 139221952
1-[(7S)-5-(4-chlorophenyl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione
CID 136912620
(5R)-5-(4-hydroxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 41434481

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The IUPAC name of 5-(4-chlorophenyl)-7-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (CID 4066312) is 5-(4-chlorophenyl)-7-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.
What is the SMILES notation for 5-(4-chlorophenyl)-7-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The canonical SMILES for 5-(4-chlorophenyl)-7-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is Cc1ccc(C2=CC(c3ccc(Cl)cc3)N3C(=O)CSC3=N2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-7-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The InChIKey is KNQYUOKPQJPHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2OS/c1-12-2-4-13(5-3-12)16-10-17(14-6-8-15(20)9-7-14)22-18(23)11-24-19(22)21-16/h2-10,17H,11H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-7-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
5-(4-chlorophenyl)-7-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one has a molecular weight of 354.86 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is sourced from PubChem (CID 4066312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).