5,6-dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-2,3-dihydro-1-benzofuran

C35H39N5OS — CID 159849713

IUPAC5,6-dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-2,3-dihydro-1-benzofuran
SMILESCc1cccc2c1CCO2.Cc1cn(C)c2ccccc12.Cc1nc2sccn2c1C.Cc1nn(C)c2ccccc12
InChIInChI=1S/C10H11N.C9H10N2.C9H10O.C7H8N2S/c1-8-7-11(2)10-6-4-3-5-9(8)10;1-7-8-5-3-4-6-9(8)11(2)10-7;1-7-3-2-4-9-8(7)5-6-10-9;1-5-6(2)9-3-4-10-7(9)8-5/h3-7H,1-2H3;3-6H,1-2H3;2-4H,5-6H2,1H3;3-4H,1-2H3
InChIKeyNPTSYWFBEGGCQL-UHFFFAOYSA-N
MW577.80 g/mol
LogP8.31
Rot. Bonds

About 5,6-dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-2,3-dihydro-1-benzofuran

5,6-dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-2,3-dihydro-1-benzofuran (PubChem CID 159849713) has the molecular formula C35H39N5OS and a molecular weight of 577.80 g/mol. Its IUPAC name is 5,6-dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5,6-dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-2,3-dihydro-1-benzofuran
PubChem CID159849713
Molecular FormulaC35H39N5OS
Molecular Weight577.80 g/mol
Exact Mass577.29
IUPAC Name5,6-dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-2,3-dihydro-1-benzofuran
SMILESCc1cccc2c1CCO2.Cc1cn(C)c2ccccc12.Cc1nc2sccn2c1C.Cc1nn(C)c2ccccc12
InChIInChI=1S/C10H11N.C9H10N2.C9H10O.C7H8N2S/c1-8-7-11(2)10-6-4-3-5-9(8)10;1-7-8-5-3-4-6-9(8)11(2)10-7;1-7-3-2-4-9-8(7)5-6-10-9;1-5-6(2)9-3-4-10-7(9)8-5/h3-7H,1-2H3;3-6H,1-2H3;2-4H,5-6H2,1H3;3-4H,1-2H3
InChIKeyNPTSYWFBEGGCQL-UHFFFAOYSA-N
XLogP8.31
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.80
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3-Methoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide
CID 155511957
6-(2,5-Dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole;hydrobromide
CID 155562794
US9765092, Example 6.13.4
CID 122531076
2-(5-Methoxy-1-methylindol-3-yl)-6-thiophen-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 162642957
6-(3-Methoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 155511958
6-(2,5-Dimethoxyphenyl)-2-(1-methylindol-3-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 155562795
2-(5-Methoxy-1-methylindol-3-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 155817137
2-(5-Methoxy-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 171716225
2-[1-(2-Methoxyethyl)indol-3-yl]-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 176457523
6-(2,5-Dimethoxyphenyl)-3-(1-methylindol-3-yl)imidazo[2,1-b][1,3]thiazole
CID 176490459
6-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-imidazo[2,1-b]thiazole
CID 23648760
6-[[5-(1-Methyl-4-phenylpyrazol-3-yl)-2-pyridinyl]oxymethyl]imidazo[2,1-b][1,3]thiazole
CID 24830347

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5,6-dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-2,3-dihydro-1-benzofuran (CID 159849713) is 5,6-dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5,6-dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5,6-dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-2,3-dihydro-1-benzofuran is Cc1cccc2c1CCO2.Cc1cn(C)c2ccccc12.Cc1nc2sccn2c1C.Cc1nn(C)c2ccccc12.
What is the InChIKey of 5,6-dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is NPTSYWFBEGGCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.C9H10N2.C9H10O.C7H8N2S/c1-8-7-11(2)10-6-4-3-5-9(8)10;1-7-8-5-3-4-6-9(8)11(2)10-7;1-7-3-2-4-9-8(7)5-6-10-9;1-5-6(2)9-3-4-10-7(9)8-5/h3-7H,1-2H3;3-6H,1-2H3;2-4H,5-6H2,1H3;3-4H,1-2H3.
What are the key properties of 5,6-dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-2,3-dihydro-1-benzofuran?
5,6-dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 577.80 g/mol, XLogP of 8.31, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 159849713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).