7-methoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C10H8N2O2S — CID 12737162

IUPAC7-methoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCOc1ccc2nc3n(c2c1)C(=O)CS3
InChIInChI=1S/C10H8N2O2S/c1-14-6-2-3-7-8(4-6)12-9(13)5-15-10(12)11-7/h2-4H,5H2,1H3
InChIKeyIBVOCUMGXZUXFI-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.79
Rot. Bonds1

About 7-methoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one

7-methoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 12737162) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 7-methoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name7-methoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID12737162
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name7-methoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCOc1ccc2nc3n(c2c1)C(=O)CS3
InChIInChI=1S/C10H8N2O2S/c1-14-6-2-3-7-8(4-6)12-9(13)5-15-10(12)11-7/h2-4H,5H2,1H3
InChIKeyIBVOCUMGXZUXFI-UHFFFAOYSA-N
XLogP1.79
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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2-imino-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
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1-ethyl-6-methoxybenzimidazol-2-amine
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2-methoxybenzimidazolo[1,2-a]quinoline
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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of 7-methoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 12737162) is 7-methoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for 7-methoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for 7-methoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one is COc1ccc2nc3n(c2c1)C(=O)CS3.
What is the InChIKey of 7-methoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is IBVOCUMGXZUXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-14-6-2-3-7-8(4-6)12-9(13)5-15-10(12)11-7/h2-4H,5H2,1H3.
What are the key properties of 7-methoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
7-methoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 220.25 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 12737162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).