7-[2-(2-methoxyphenyl)ethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C14H11N3O2S — CID 54064599

IUPAC7-[2-(2-methoxyphenyl)ethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1ccccc1C=Cc1cc(=O)n2ncsc2n1
InChIInChI=1S/C14H11N3O2S/c1-19-12-5-3-2-4-10(12)6-7-11-8-13(18)17-14(16-11)20-9-15-17/h2-9H,1H3
InChIKeyMCBMFWHGKHAJRE-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.33
Rot. Bonds3

About 7-[2-(2-methoxyphenyl)ethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-[2-(2-methoxyphenyl)ethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 54064599) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 7-[2-(2-methoxyphenyl)ethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[2-(2-methoxyphenyl)ethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID54064599
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name7-[2-(2-methoxyphenyl)ethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1ccccc1C=Cc1cc(=O)n2ncsc2n1
InChIInChI=1S/C14H11N3O2S/c1-19-12-5-3-2-4-10(12)6-7-11-8-13(18)17-14(16-11)20-9-15-17/h2-9H,1H3
InChIKeyMCBMFWHGKHAJRE-UHFFFAOYSA-N
XLogP2.33
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 13188217
7-[(E)-2-phenylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 13188210
7-[(E)-2-(4-methylphenyl)ethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 13188213
2-[(E)-2-(2-methoxyphenyl)ethenyl]pyridine
CID 127035001
7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66753446
2-chloro-7-[(E)-2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66753134
7-[2-(2-methoxyphenyl)ethenyl]-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 71965695
3-[(E)-2-(2-methoxyphenyl)ethenyl]-1-methylquinoxalin-2-one
CID 7186381
tert-butyl 3-(2-methoxyphenyl)prop-2-enoate
CID 72952089
3-tert-butyl-6-[2-(2-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 3161198
2-[2-(2-methoxyphenyl)ethenyl]-3,5,6-trimethylpyrazine
CID 141144702
3,5-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridine
CID 53315540

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-methoxyphenyl)ethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[2-(2-methoxyphenyl)ethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 54064599) is 7-[2-(2-methoxyphenyl)ethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[2-(2-methoxyphenyl)ethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[2-(2-methoxyphenyl)ethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is COc1ccccc1C=Cc1cc(=O)n2ncsc2n1.
What is the InChIKey of 7-[2-(2-methoxyphenyl)ethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is MCBMFWHGKHAJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-19-12-5-3-2-4-10(12)6-7-11-8-13(18)17-14(16-11)20-9-15-17/h2-9H,1H3.
What are the key properties of 7-[2-(2-methoxyphenyl)ethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-[2-(2-methoxyphenyl)ethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 285.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-methoxyphenyl)ethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 54064599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).