3-(4-methoxyphenyl)-2H-[1,3,4]thiadiazino[3,2-a]benzimidazole

C16H13N3OS — CID 15741142

IUPAC3-(4-methoxyphenyl)-2H-[1,3,4]thiadiazino[3,2-a]benzimidazole
SMILESCOc1ccc(C2=Nn3c(nc4ccccc43)SC2)cc1
InChIInChI=1S/C16H13N3OS/c1-20-12-8-6-11(7-9-12)14-10-21-16-17-13-4-2-3-5-15(13)19(16)18-14/h2-9H,10H2,1H3
InChIKeyIDDISMUUIIHFJS-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.40
Rot. Bonds2

About 3-(4-methoxyphenyl)-2H-[1,3,4]thiadiazino[3,2-a]benzimidazole

3-(4-methoxyphenyl)-2H-[1,3,4]thiadiazino[3,2-a]benzimidazole (PubChem CID 15741142) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2H-[1,3,4]thiadiazino[3,2-a]benzimidazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2H-[1,3,4]thiadiazino[3,2-a]benzimidazole
PubChem CID15741142
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name3-(4-methoxyphenyl)-2H-[1,3,4]thiadiazino[3,2-a]benzimidazole
SMILESCOc1ccc(C2=Nn3c(nc4ccccc43)SC2)cc1
InChIInChI=1S/C16H13N3OS/c1-20-12-8-6-11(7-9-12)14-10-21-16-17-13-4-2-3-5-15(13)19(16)18-14/h2-9H,10H2,1H3
InChIKeyIDDISMUUIIHFJS-UHFFFAOYSA-N
XLogP3.40
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-bis(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 662872
[6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methanamine
CID 4971408
3-[2-(4-methoxyphenyl)ethyl]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 44513964
6-(4-methoxyphenyl)-3-pentyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine;hydrobromide
CID 45129297
3-(4-methoxyphenyl)-6-naphthalen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 3840487
3-[(4-methoxyphenyl)methyl]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine;hydrobromide
CID 45136659
3-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 3788138
3-(4-tert-butylphenyl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 3801841
6-(2-bromophenyl)-3-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 3753993
3-[(4-methoxyphenyl)methyl]-6-(4-methylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine;hydrobromide
CID 45136660
6-(4-chlorophenyl)-3-[(4-methoxyphenoxy)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 1283918
3-(1H-indol-3-ylmethyl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 90486826

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2H-[1,3,4]thiadiazino[3,2-a]benzimidazole?
The IUPAC name of 3-(4-methoxyphenyl)-2H-[1,3,4]thiadiazino[3,2-a]benzimidazole (CID 15741142) is 3-(4-methoxyphenyl)-2H-[1,3,4]thiadiazino[3,2-a]benzimidazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-2H-[1,3,4]thiadiazino[3,2-a]benzimidazole?
The canonical SMILES for 3-(4-methoxyphenyl)-2H-[1,3,4]thiadiazino[3,2-a]benzimidazole is COc1ccc(C2=Nn3c(nc4ccccc43)SC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2H-[1,3,4]thiadiazino[3,2-a]benzimidazole?
The InChIKey is IDDISMUUIIHFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-20-12-8-6-11(7-9-12)14-10-21-16-17-13-4-2-3-5-15(13)19(16)18-14/h2-9H,10H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-2H-[1,3,4]thiadiazino[3,2-a]benzimidazole?
3-(4-methoxyphenyl)-2H-[1,3,4]thiadiazino[3,2-a]benzimidazole has a molecular weight of 295.37 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2H-[1,3,4]thiadiazino[3,2-a]benzimidazole is sourced from PubChem (CID 15741142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).