8b-methoxy-2-methyl-3a,4-dihydroindeno[1,2-d][1,3]thiazole

C12H13NOS — CID 21347890

IUPAC8b-methoxy-2-methyl-3a,4-dihydroindeno[1,2-d][1,3]thiazole
SMILESCOC12N=C(C)SC1Cc1ccccc12
InChIInChI=1S/C12H13NOS/c1-8-13-12(14-2)10-6-4-3-5-9(10)7-11(12)15-8/h3-6,11H,7H2,1-2H3
InChIKeyIYMKRGQNMRKBKP-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.58
Rot. Bonds1

About 8b-methoxy-2-methyl-3a,4-dihydroindeno[1,2-d][1,3]thiazole

8b-methoxy-2-methyl-3a,4-dihydroindeno[1,2-d][1,3]thiazole (PubChem CID 21347890) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 8b-methoxy-2-methyl-3a,4-dihydroindeno[1,2-d][1,3]thiazole.

Molecular Properties

Compound Name8b-methoxy-2-methyl-3a,4-dihydroindeno[1,2-d][1,3]thiazole
PubChem CID21347890
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name8b-methoxy-2-methyl-3a,4-dihydroindeno[1,2-d][1,3]thiazole
SMILESCOC12N=C(C)SC1Cc1ccccc12
InChIInChI=1S/C12H13NOS/c1-8-13-12(14-2)10-6-4-3-5-9(10)7-11(12)15-8/h3-6,11H,7H2,1-2H3
InChIKeyIYMKRGQNMRKBKP-UHFFFAOYSA-N
XLogP2.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2,3-dichloro-3-(2-methoxyphenyl)-1,2-dihydroindene
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ethyl (2S,3S)-3-fluoro-3-hydroxy-1,2-dihydroindene-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 8b-methoxy-2-methyl-3a,4-dihydroindeno[1,2-d][1,3]thiazole?
The IUPAC name of 8b-methoxy-2-methyl-3a,4-dihydroindeno[1,2-d][1,3]thiazole (CID 21347890) is 8b-methoxy-2-methyl-3a,4-dihydroindeno[1,2-d][1,3]thiazole.
What is the SMILES notation for 8b-methoxy-2-methyl-3a,4-dihydroindeno[1,2-d][1,3]thiazole?
The canonical SMILES for 8b-methoxy-2-methyl-3a,4-dihydroindeno[1,2-d][1,3]thiazole is COC12N=C(C)SC1Cc1ccccc12.
What is the InChIKey of 8b-methoxy-2-methyl-3a,4-dihydroindeno[1,2-d][1,3]thiazole?
The InChIKey is IYMKRGQNMRKBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-8-13-12(14-2)10-6-4-3-5-9(10)7-11(12)15-8/h3-6,11H,7H2,1-2H3.
What are the key properties of 8b-methoxy-2-methyl-3a,4-dihydroindeno[1,2-d][1,3]thiazole?
8b-methoxy-2-methyl-3a,4-dihydroindeno[1,2-d][1,3]thiazole has a molecular weight of 219.31 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8b-methoxy-2-methyl-3a,4-dihydroindeno[1,2-d][1,3]thiazole is sourced from PubChem (CID 21347890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).