ethane;9-methylbenzimidazolo[2,1-b][1,3]benzothiazole

C16H16N2S — CID 144782380

IUPACethane;9-methylbenzimidazolo[2,1-b][1,3]benzothiazole
SMILESCC.Cc1ccc2nc3sc4ccccc4n3c2c1
InChIInChI=1S/C14H10N2S.C2H6/c1-9-6-7-10-12(8-9)16-11-4-2-3-5-13(11)17-14(16)15-10;1-2/h2-8H,1H3;1-2H3
InChIKeyDFELLEHKZZEQKH-UHFFFAOYSA-N
MW268.39 g/mol
LogP5.04
Rot. Bonds

About ethane;9-methylbenzimidazolo[2,1-b][1,3]benzothiazole

ethane;9-methylbenzimidazolo[2,1-b][1,3]benzothiazole (PubChem CID 144782380) has the molecular formula C16H16N2S and a molecular weight of 268.39 g/mol. Its IUPAC name is ethane;9-methylbenzimidazolo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Nameethane;9-methylbenzimidazolo[2,1-b][1,3]benzothiazole
PubChem CID144782380
Molecular FormulaC16H16N2S
Molecular Weight268.39 g/mol
Exact Mass268.10
IUPAC Nameethane;9-methylbenzimidazolo[2,1-b][1,3]benzothiazole
SMILESCC.Cc1ccc2nc3sc4ccccc4n3c2c1
InChIInChI=1S/C14H10N2S.C2H6/c1-9-6-7-10-12(8-9)16-11-4-2-3-5-13(11)17-14(16)15-10;1-2/h2-8H,1H3;1-2H3
InChIKeyDFELLEHKZZEQKH-UHFFFAOYSA-N
XLogP5.04
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.39
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-methyl-17-thia-1,8,15,19-tetrazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 145383764
bis[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane
CID 153462934
1,2-dimethylimidazo[2,1-b][1,3]benzothiazole
CID 70385132
benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane
CID 158681040
benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)-diphenylsilane;bis[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane
CID 162121050
2-(2-methylphenyl)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 163394893
2-chloro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 15134484
N-(2,3-dichlorophenyl)-N-phenylbenzimidazolo[2,1-b][1,3]benzothiazol-9-amine
CID 164801756
2-methyl-1-phenylimidazo[2,1-b][1,3]benzothiazole
CID 142553581
N-(2,6-dimethylphenyl)-2-(2-fluoro-5-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 59579193
2-(3,5-dimethoxyphenyl)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 163394930
17-thia-2,7,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaen-9-one
CID 10060817

Frequently Asked Questions

What is the IUPAC name of ethane;9-methylbenzimidazolo[2,1-b][1,3]benzothiazole?
The IUPAC name of ethane;9-methylbenzimidazolo[2,1-b][1,3]benzothiazole (CID 144782380) is ethane;9-methylbenzimidazolo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for ethane;9-methylbenzimidazolo[2,1-b][1,3]benzothiazole?
The canonical SMILES for ethane;9-methylbenzimidazolo[2,1-b][1,3]benzothiazole is CC.Cc1ccc2nc3sc4ccccc4n3c2c1.
What is the InChIKey of ethane;9-methylbenzimidazolo[2,1-b][1,3]benzothiazole?
The InChIKey is DFELLEHKZZEQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2S.C2H6/c1-9-6-7-10-12(8-9)16-11-4-2-3-5-13(11)17-14(16)15-10;1-2/h2-8H,1H3;1-2H3.
What are the key properties of ethane;9-methylbenzimidazolo[2,1-b][1,3]benzothiazole?
ethane;9-methylbenzimidazolo[2,1-b][1,3]benzothiazole has a molecular weight of 268.39 g/mol, XLogP of 5.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-methylbenzimidazolo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 144782380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).