3-(3-methoxyphenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C20H15N3O2S — CID 13105911

IUPAC3-(3-methoxyphenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1cccc(-c2csc3nc(/C=C/c4cccnc4)cc(=O)n23)c1
InChIInChI=1S/C20H15N3O2S/c1-25-17-6-2-5-15(10-17)18-13-26-20-22-16(11-19(24)23(18)20)8-7-14-4-3-9-21-12-14/h2-13H,1H3/b8-7+
InChIKeyFBPKCSPXRSEERG-BQYQJAHWSA-N
MW361.43 g/mol
LogP4.00
Rot. Bonds4

About 3-(3-methoxyphenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-(3-methoxyphenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 13105911) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID13105911
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name3-(3-methoxyphenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1cccc(-c2csc3nc(/C=C/c4cccnc4)cc(=O)n23)c1
InChIInChI=1S/C20H15N3O2S/c1-25-17-6-2-5-15(10-17)18-13-26-20-22-16(11-19(24)23(18)20)8-7-14-4-3-9-21-12-14/h2-13H,1H3/b8-7+
InChIKeyFBPKCSPXRSEERG-BQYQJAHWSA-N
XLogP4.00
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 13188235
2-(3-methylphenyl)-7-(2-pyridin-3-ylethenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 54203423
7-amino-3-pyridin-3-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 139236707
N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]pyridine-3-carboxamide
CID 108752676
2-(4-nitrophenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 13188238
2-[3-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062421
2-(2-aminophenyl)-7-(2-pyridin-3-ylethenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 54271130
1-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one
CID 13232092
6-(2-ethoxyphenyl)-3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198900
6-(3-methoxyphenyl)-3-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198698
N-methoxy-3-(3-methoxyphenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469254
3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 82479018

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-(3-methoxyphenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 13105911) is 3-(3-methoxyphenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-(3-methoxyphenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is COc1cccc(-c2csc3nc(/C=C/c4cccnc4)cc(=O)n23)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FBPKCSPXRSEERG-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-25-17-6-2-5-15(10-17)18-13-26-20-22-16(11-19(24)23(18)20)8-7-14-4-3-9-21-12-14/h2-13H,1H3/b8-7+.
What are the key properties of 3-(3-methoxyphenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-(3-methoxyphenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 361.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 13105911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).