2-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one

C18H16N2O3S — CID 2898231

IUPAC2-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one
SMILESCOc1ccc(C2CC(=O)n3c(nc4ccccc43)S2)cc1OC
InChIInChI=1S/C18H16N2O3S/c1-22-14-8-7-11(9-15(14)23-2)16-10-17(21)20-13-6-4-3-5-12(13)19-18(20)24-16/h3-9,16H,10H2,1-2H3
InChIKeyPUFKVSBHZNEZAP-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.93
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one

2-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one (PubChem CID 2898231) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one
PubChem CID2898231
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name2-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one
SMILESCOc1ccc(C2CC(=O)n3c(nc4ccccc43)S2)cc1OC
InChIInChI=1S/C18H16N2O3S/c1-22-14-8-7-11(9-15(14)23-2)16-10-17(21)20-13-6-4-3-5-12(13)19-18(20)24-16/h3-9,16H,10H2,1-2H3
InChIKeyPUFKVSBHZNEZAP-UHFFFAOYSA-N
XLogP3.93
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one (CID 2898231) is 2-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one is COc1ccc(C2CC(=O)n3c(nc4ccccc43)S2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
The InChIKey is PUFKVSBHZNEZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-22-14-8-7-11(9-15(14)23-2)16-10-17(21)20-13-6-4-3-5-12(13)19-18(20)24-16/h3-9,16H,10H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one?
2-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one has a molecular weight of 340.40 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one is sourced from PubChem (CID 2898231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).