6-tert-butyl-2-methyl-1,3-benzothiazole;2-tert-butyl-6-methylnaphthalene

C27H33NS — CID 158521630

IUPAC6-tert-butyl-2-methyl-1,3-benzothiazole;2-tert-butyl-6-methylnaphthalene
SMILESCc1ccc2cc(C(C)(C)C)ccc2c1.Cc1nc2ccc(C(C)(C)C)cc2s1
InChIInChI=1S/C15H18.C12H15NS/c1-11-5-6-13-10-14(15(2,3)4)8-7-12(13)9-11;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8/h5-10H,1-4H3;5-7H,1-4H3
InChIKeyHMHBYAZTPRTWPG-UHFFFAOYSA-N
MW403.64 g/mol
LogP8.35
Rot. Bonds

About 6-tert-butyl-2-methyl-1,3-benzothiazole;2-tert-butyl-6-methylnaphthalene

6-tert-butyl-2-methyl-1,3-benzothiazole;2-tert-butyl-6-methylnaphthalene (PubChem CID 158521630) has the molecular formula C27H33NS and a molecular weight of 403.64 g/mol. Its IUPAC name is 6-tert-butyl-2-methyl-1,3-benzothiazole;2-tert-butyl-6-methylnaphthalene.

Molecular Properties

Compound Name6-tert-butyl-2-methyl-1,3-benzothiazole;2-tert-butyl-6-methylnaphthalene
PubChem CID158521630
Molecular FormulaC27H33NS
Molecular Weight403.64 g/mol
Exact Mass403.23
IUPAC Name6-tert-butyl-2-methyl-1,3-benzothiazole;2-tert-butyl-6-methylnaphthalene
SMILESCc1ccc2cc(C(C)(C)C)ccc2c1.Cc1nc2ccc(C(C)(C)C)cc2s1
InChIInChI=1S/C15H18.C12H15NS/c1-11-5-6-13-10-14(15(2,3)4)8-7-12(13)9-11;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8/h5-10H,1-4H3;5-7H,1-4H3
InChIKeyHMHBYAZTPRTWPG-UHFFFAOYSA-N
XLogP8.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.64
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-tert-butyl-2-methyl-1,3-benzothiazole;2-tert-butyl-6-methylnaphthalene 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

1-tert-butyl-4-methylbenzene;2-tert-butyl-6-methylnaphthalene
CID 159784844
2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene
CID 161399944
6-tert-butyl-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 58672198
2-(6-tert-butyl-1,3-benzothiazol-2-yl)propan-2-amine
CID 84633257
N-(4-tert-butylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79127962
6-tert-butyl-2-ethyl-1,3-benzothiazole;ethane
CID 142320199
1-fluoro-2-[4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]propan-2-ol
CID 163935562
6-methyl-2-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 166850249
6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 22892825
2,2-dimethyl-3-(2-methyl-1,3-benzothiazol-6-yl)propanoic acid
CID 117376812
1,1-difluoro-2-methyl-1-(6-methylnaphthalen-2-yl)propan-2-amine
CID 116839473
6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 126550023

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-methyl-1,3-benzothiazole;2-tert-butyl-6-methylnaphthalene?
The IUPAC name of 6-tert-butyl-2-methyl-1,3-benzothiazole;2-tert-butyl-6-methylnaphthalene (CID 158521630) is 6-tert-butyl-2-methyl-1,3-benzothiazole;2-tert-butyl-6-methylnaphthalene.
What is the SMILES notation for 6-tert-butyl-2-methyl-1,3-benzothiazole;2-tert-butyl-6-methylnaphthalene?
The canonical SMILES for 6-tert-butyl-2-methyl-1,3-benzothiazole;2-tert-butyl-6-methylnaphthalene is Cc1ccc2cc(C(C)(C)C)ccc2c1.Cc1nc2ccc(C(C)(C)C)cc2s1.
What is the InChIKey of 6-tert-butyl-2-methyl-1,3-benzothiazole;2-tert-butyl-6-methylnaphthalene?
The InChIKey is HMHBYAZTPRTWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18.C12H15NS/c1-11-5-6-13-10-14(15(2,3)4)8-7-12(13)9-11;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8/h5-10H,1-4H3;5-7H,1-4H3.
What are the key properties of 6-tert-butyl-2-methyl-1,3-benzothiazole;2-tert-butyl-6-methylnaphthalene?
6-tert-butyl-2-methyl-1,3-benzothiazole;2-tert-butyl-6-methylnaphthalene has a molecular weight of 403.64 g/mol, XLogP of 8.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methyl-1,3-benzothiazole;2-tert-butyl-6-methylnaphthalene is sourced from PubChem (CID 158521630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).