6,7-dimethoxy-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole

C11H12N2O2S — CID 850181

IUPAC6,7-dimethoxy-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole
SMILESCOc1cc2nc3n(c2cc1OC)CCS3
InChIInChI=1S/C11H12N2O2S/c1-14-9-5-7-8(6-10(9)15-2)13-3-4-16-11(13)12-7/h5-6H,3-4H2,1-2H3
InChIKeyKUIRLOLELFPMFS-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.16
Rot. Bonds2

About 6,7-dimethoxy-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole

6,7-dimethoxy-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 850181) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 6,7-dimethoxy-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name6,7-dimethoxy-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID850181
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name6,7-dimethoxy-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole
SMILESCOc1cc2nc3n(c2cc1OC)CCS3
InChIInChI=1S/C11H12N2O2S/c1-14-9-5-7-8(6-10(9)15-2)13-3-4-16-11(13)12-7/h5-6H,3-4H2,1-2H3
InChIKeyKUIRLOLELFPMFS-UHFFFAOYSA-N
XLogP2.16
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole?
The IUPAC name of 6,7-dimethoxy-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole (CID 850181) is 6,7-dimethoxy-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole.
What is the SMILES notation for 6,7-dimethoxy-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for 6,7-dimethoxy-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole is COc1cc2nc3n(c2cc1OC)CCS3.
What is the InChIKey of 6,7-dimethoxy-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is KUIRLOLELFPMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-14-9-5-7-8(6-10(9)15-2)13-3-4-16-11(13)12-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 6,7-dimethoxy-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole?
6,7-dimethoxy-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 236.30 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 850181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).