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

C35H37N5OS — CID 157330839

IUPAC5,6-dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-1-benzofuran
SMILESCc1cccc2occc12.Cc1cn(C)c2ccccc12.Cc1nc2sccn2c1C.Cc1nn(C)c2ccccc12
InChIInChI=1S/C10H11N.C9H10N2.C9H8O.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;2-6H,1H3;3-4H,1-2H3
InChIKeyBFGRFNDCUXBDNM-UHFFFAOYSA-N
MW575.78 g/mol
LogP9.12
Rot. Bonds

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

5,6-dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-1-benzofuran (PubChem CID 157330839) has the molecular formula C35H37N5OS and a molecular weight of 575.78 g/mol. Its IUPAC name is 5,6-dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-1-benzofuran.

Molecular Properties

Compound Name5,6-dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-1-benzofuran
PubChem CID157330839
Molecular FormulaC35H37N5OS
Molecular Weight575.78 g/mol
Exact Mass575.27
IUPAC Name5,6-dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-1-benzofuran
SMILESCc1cccc2occc12.Cc1cn(C)c2ccccc12.Cc1nc2sccn2c1C.Cc1nn(C)c2ccccc12
InChIInChI=1S/C10H11N.C9H10N2.C9H8O.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;2-6H,1H3;3-4H,1-2H3
InChIKeyBFGRFNDCUXBDNM-UHFFFAOYSA-N
XLogP9.12
TPSA53.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.78
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

14-[3-(3-Dibenzofuran-2-ylcarbazol-9-yl)phenyl]-10-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),8,13,15-heptaene;iridium;4-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-1-phenylpyrazole
CID 59359476
1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide);iridium;bis(iridium(3+));1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-phenylpyrazole;2-phenyl-1,3-thiazole
CID 157218445
1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1H-indazole;1H-indole
CID 159214493
cumene;2-methylpropane;2-propan-2-yl-1-benzofuran;2-propan-2-ylfuran;3-propan-2-yl-1H-indole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;pyridine
CID 159664599
1H-benzimidazole;1-benzofuran;1-benzothiophene;ethane;bis(1H-indazole);1H-indene;1H-indole;naphthalene
CID 159812743
bis(1-methyl-4-[(E)-prop-1-enyl]benzimidazole);2-methyl-4-[(E)-prop-1-enyl]benzotriazole;2-methyl-4-[(E)-prop-1-enyl]indazole;2-methyl-4-[(E)-prop-1-enyl]isoindole;4-[(E)-prop-1-enyl]-2-benzofuran;4-[(E)-prop-1-enyl]-2-benzothiophene
CID 159844282
5,6-Dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-2,3-dihydro-1-benzofuran
CID 159849713
5,6-Dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;1,4-dimethylindole;3-methyl-1,2-benzoxazole;5-methyl-2,3-dihydro-1,4-benzodioxine;4-methyl-2,3-dihydro-1-benzofuran
CID 160396842
2-(3-Dibenzofuran-3-ylbenzene-6-id-1-yl)-1,3-oxazole;2-(3-dibenzothiophen-3-ylbenzene-6-id-1-yl)-1,3-thiazole;2-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]-9-phenylcarbazole;tris(1-phenyl-4-(4-phenylphenyl)pyrazole);tris(5-phenyl-3-(4-phenylphenyl)pyrazol-1-ide);tris(platinum(4+))
CID 160472835
5,6-Dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-1-benzofuran;4-methyl-2,3-dihydro-1-benzofuran
CID 160497475
1-(4-dibenzofuran-3-ylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(1-[4-(2,6-dimethyl-4-phenylphenyl)benzene-6-id-1-yl]-3-methyl-2H-benzimidazol-2-ide);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-phenylpyrazole;2-phenyl-1,3-thiazole;rhodium;bis(rhodium(3+))
CID 161140065
1-Benzothiophene;ethane;furan;methane;1-methylimidazole;1-methylindole;1-methylpyrazole;1-methylpyrrole;1,3-thiazole;thiophene
CID 161240233

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-1-benzofuran?
The IUPAC name of 5,6-dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-1-benzofuran (CID 157330839) is 5,6-dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-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-1-benzofuran?
The canonical SMILES for 5,6-dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-1-benzofuran is Cc1cccc2occc12.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-1-benzofuran?
The InChIKey is BFGRFNDCUXBDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.C9H10N2.C9H8O.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;2-6H,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-1-benzofuran?
5,6-dimethylimidazo[2,1-b][1,3]thiazole;1,3-dimethylindazole;1,3-dimethylindole;4-methyl-1-benzofuran has a molecular weight of 575.78 g/mol, XLogP of 9.12, 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-1-benzofuran is sourced from PubChem (CID 157330839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).