5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;5-methyl-3H-indole;6-methylquinoline

C59H56N8O2S3 — CID 159093328

IUPAC5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;5-methyl-3H-indole;6-methylquinoline
SMILESCc1ccc2c(c1)CC=N2.Cc1ccc2c(c1)OCCO2.Cc1ccc2ncccc2c1.Cc1ccc2nccn2c1.Cc1ccc2ncsc2c1.Cc1ccc2nsnc2c1.Cc1ccc2scnc2c1
InChIInChI=1S/C10H9N.C9H9N.C9H10O2.C8H8N2.2C8H7NS.C7H6N2S/c1-8-4-5-10-9(7-8)3-2-6-11-10;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-2-3-8-9-4-5-10(8)6-7;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-5-2-3-6-7(4-5)9-10-8-6/h2-7H,1H3;2-3,5-6H,4H2,1H3;2-3,6H,4-5H2,1H3;2-6H,1H3;2*2-5H,1H3;2-4H,1H3
InChIKeyKCIQVRBOHCSFEY-UHFFFAOYSA-N
MW1005.35 g/mol
LogP15.41
Rot. Bonds

About 5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;5-methyl-3H-indole;6-methylquinoline

5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;5-methyl-3H-indole;6-methylquinoline (PubChem CID 159093328) has the molecular formula C59H56N8O2S3 and a molecular weight of 1005.35 g/mol. Its IUPAC name is 5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;5-methyl-3H-indole;6-methylquinoline.

Molecular Properties

Compound Name5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;5-methyl-3H-indole;6-methylquinoline
PubChem CID159093328
Molecular FormulaC59H56N8O2S3
Molecular Weight1005.35 g/mol
Exact Mass1004.37
IUPAC Name5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;5-methyl-3H-indole;6-methylquinoline
SMILESCc1ccc2c(c1)CC=N2.Cc1ccc2c(c1)OCCO2.Cc1ccc2ncccc2c1.Cc1ccc2nccn2c1.Cc1ccc2ncsc2c1.Cc1ccc2nsnc2c1.Cc1ccc2scnc2c1
InChIInChI=1S/C10H9N.C9H9N.C9H10O2.C8H8N2.2C8H7NS.C7H6N2S/c1-8-4-5-10-9(7-8)3-2-6-11-10;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-2-3-8-9-4-5-10(8)6-7;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-5-2-3-6-7(4-5)9-10-8-6/h2-7H,1H3;2-3,5-6H,4H2,1H3;2-3,6H,4-5H2,1H3;2-6H,1H3;2*2-5H,1H3;2-4H,1H3
InChIKeyKCIQVRBOHCSFEY-UHFFFAOYSA-N
XLogP15.41
TPSA112.57 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001005.35
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;5-methyl-3H-indole;6-methylquinoline with MolForge

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Related Compounds

6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;5-methyl-3H-indole;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methylnaphthalene;2-methyl-1,5-naphthyridine;3-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;3-methylpyrido[2,3-c]pyridazine;2-methylpyrido[3,2-d]pyrimidine;6-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;6-methyltetrazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 158663197
1,5-dimethylindole;ethane;5-methyl-1,3-benzodioxole;6-methyl-1,3-benzothiazole;5-methyl-2,3-dihydro-1-benzofuran;1,3,5-trimethyl-2,1,3-benzoxadiazole
CID 159130065
6-methylquinoline
CID 7059
azane;5-methyl-1,3-benzothiazole
CID 174920703
6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazole
CID 15445612
2,3-dihydro-1,4-benzodioxin-6-ylmethanamine;phenylmethanamine;quinolin-6-ylmethanamine
CID 158295759
4-methylpyridine;6-methylquinoline
CID 142243578
iodoethane;6-methylquinoline
CID 160581758
6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,3-benzothiazole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-isoindole;6-tert-butyl-1-methylbenzimidazole;6-tert-butylquinazoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 158060695
14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene
CID 90365748
1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;2,3-dihydro-1,4-benzodioxine;tetrakis(2-methylpropane)
CID 157052254
1,3-benzodioxole;2,3-dihydro-1-benzofuran;1H-indene;3H-indole;quinoline
CID 159271279

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;5-methyl-3H-indole;6-methylquinoline?
The IUPAC name of 5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;5-methyl-3H-indole;6-methylquinoline (CID 159093328) is 5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;5-methyl-3H-indole;6-methylquinoline.
What is the SMILES notation for 5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;5-methyl-3H-indole;6-methylquinoline?
The canonical SMILES for 5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;5-methyl-3H-indole;6-methylquinoline is Cc1ccc2c(c1)CC=N2.Cc1ccc2c(c1)OCCO2.Cc1ccc2ncccc2c1.Cc1ccc2nccn2c1.Cc1ccc2ncsc2c1.Cc1ccc2nsnc2c1.Cc1ccc2scnc2c1.
What is the InChIKey of 5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;5-methyl-3H-indole;6-methylquinoline?
The InChIKey is KCIQVRBOHCSFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C9H9N.C9H10O2.C8H8N2.2C8H7NS.C7H6N2S/c1-8-4-5-10-9(7-8)3-2-6-11-10;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-9(6-7)11-5-4-10-8;1-7-2-3-8-9-4-5-10(8)6-7;1-6-2-3-8-7(4-6)9-5-10-8;1-6-2-3-7-8(4-6)10-5-9-7;1-5-2-3-6-7(4-5)9-10-8-6/h2-7H,1H3;2-3,5-6H,4H2,1H3;2-3,6H,4-5H2,1H3;2-6H,1H3;2*2-5H,1H3;2-4H,1H3.
What are the key properties of 5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;5-methyl-3H-indole;6-methylquinoline?
5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;5-methyl-3H-indole;6-methylquinoline has a molecular weight of 1005.35 g/mol, XLogP of 15.41, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,1,3-benzothiadiazole;5-methyl-1,3-benzothiazole;6-methyl-1,3-benzothiazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;5-methyl-3H-indole;6-methylquinoline is sourced from PubChem (CID 159093328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).