6-(2,7-dimethylindazol-5-yl)-2-methyl-1,3-benzothiazole;ethane;2,2,4,6,6-pentamethylpiperidine

C29H42N4S — CID 153383264

IUPAC6-(2,7-dimethylindazol-5-yl)-2-methyl-1,3-benzothiazole;ethane;2,2,4,6,6-pentamethylpiperidine
SMILESCC.CC1CC(C)(C)NC(C)(C)C1.Cc1nc2ccc(-c3cc(C)c4nn(C)cc4c3)cc2s1
InChIInChI=1S/C17H15N3S.C10H21N.C2H6/c1-10-6-13(7-14-9-20(3)19-17(10)14)12-4-5-15-16(8-12)21-11(2)18-15;1-8-6-9(2,3)11-10(4,5)7-8;1-2/h4-9H,1-3H3;8,11H,6-7H2,1-5H3;1-2H3
InChIKeyUCNRGFVZZMGNCR-UHFFFAOYSA-N
MW478.75 g/mol
LogP8.06
Rot. Bonds1

About 6-(2,7-dimethylindazol-5-yl)-2-methyl-1,3-benzothiazole;ethane;2,2,4,6,6-pentamethylpiperidine

6-(2,7-dimethylindazol-5-yl)-2-methyl-1,3-benzothiazole;ethane;2,2,4,6,6-pentamethylpiperidine (PubChem CID 153383264) has the molecular formula C29H42N4S and a molecular weight of 478.75 g/mol. Its IUPAC name is 6-(2,7-dimethylindazol-5-yl)-2-methyl-1,3-benzothiazole;ethane;2,2,4,6,6-pentamethylpiperidine.

Molecular Properties

Compound Name6-(2,7-dimethylindazol-5-yl)-2-methyl-1,3-benzothiazole;ethane;2,2,4,6,6-pentamethylpiperidine
PubChem CID153383264
Molecular FormulaC29H42N4S
Molecular Weight478.75 g/mol
Exact Mass478.31
IUPAC Name6-(2,7-dimethylindazol-5-yl)-2-methyl-1,3-benzothiazole;ethane;2,2,4,6,6-pentamethylpiperidine
SMILESCC.CC1CC(C)(C)NC(C)(C)C1.Cc1nc2ccc(-c3cc(C)c4nn(C)cc4c3)cc2s1
InChIInChI=1S/C17H15N3S.C10H21N.C2H6/c1-10-6-13(7-14-9-20(3)19-17(10)14)12-4-5-15-16(8-12)21-11(2)18-15;1-8-6-9(2,3)11-10(4,5)7-8;1-2/h4-9H,1-3H3;8,11H,6-7H2,1-5H3;1-2H3
InChIKeyUCNRGFVZZMGNCR-UHFFFAOYSA-N
XLogP8.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.75
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2,7-dimethylindazol-5-yl)-2-methyl-1,3-benzothiazole;ethane;2,2,4,6,6-pentamethylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride
CID 153383029
6-(2,7-dimethylindazol-5-yl)-N-(2,2-dimethylpiperidin-4-yl)-N-methyl-1,3-benzothiazol-2-amine
CID 150652188
N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 152719069
6-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;2-(2-methylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-[1,3]thiazolo[4,5-b]pyridine;N-methyl-6-(2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 158459718
3-(2,7-dimethylindazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridazin-6-amine
CID 150928931
6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole
CID 151072490
6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-methyl-1,3-benzothiazole
CID 153383075
ethane;2,5,7-trimethylindazole
CID 156845071
7-(2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 156888704
6-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylquinazolin-4-one
CID 156888169
7-(2,7-dimethylindazol-5-yl)-3-(4-methylpiperazin-1-yl)quinazolin-4-one
CID 156888869
5-(3-fluoro-4-propan-2-ylphenyl)-2,7-dimethylindazole
CID 171760423

Frequently Asked Questions

What is the IUPAC name of 6-(2,7-dimethylindazol-5-yl)-2-methyl-1,3-benzothiazole;ethane;2,2,4,6,6-pentamethylpiperidine?
The IUPAC name of 6-(2,7-dimethylindazol-5-yl)-2-methyl-1,3-benzothiazole;ethane;2,2,4,6,6-pentamethylpiperidine (CID 153383264) is 6-(2,7-dimethylindazol-5-yl)-2-methyl-1,3-benzothiazole;ethane;2,2,4,6,6-pentamethylpiperidine.
What is the SMILES notation for 6-(2,7-dimethylindazol-5-yl)-2-methyl-1,3-benzothiazole;ethane;2,2,4,6,6-pentamethylpiperidine?
The canonical SMILES for 6-(2,7-dimethylindazol-5-yl)-2-methyl-1,3-benzothiazole;ethane;2,2,4,6,6-pentamethylpiperidine is CC.CC1CC(C)(C)NC(C)(C)C1.Cc1nc2ccc(-c3cc(C)c4nn(C)cc4c3)cc2s1.
What is the InChIKey of 6-(2,7-dimethylindazol-5-yl)-2-methyl-1,3-benzothiazole;ethane;2,2,4,6,6-pentamethylpiperidine?
The InChIKey is UCNRGFVZZMGNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S.C10H21N.C2H6/c1-10-6-13(7-14-9-20(3)19-17(10)14)12-4-5-15-16(8-12)21-11(2)18-15;1-8-6-9(2,3)11-10(4,5)7-8;1-2/h4-9H,1-3H3;8,11H,6-7H2,1-5H3;1-2H3.
What are the key properties of 6-(2,7-dimethylindazol-5-yl)-2-methyl-1,3-benzothiazole;ethane;2,2,4,6,6-pentamethylpiperidine?
6-(2,7-dimethylindazol-5-yl)-2-methyl-1,3-benzothiazole;ethane;2,2,4,6,6-pentamethylpiperidine has a molecular weight of 478.75 g/mol, XLogP of 8.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,7-dimethylindazol-5-yl)-2-methyl-1,3-benzothiazole;ethane;2,2,4,6,6-pentamethylpiperidine is sourced from PubChem (CID 153383264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).