6-tert-butyl-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine

C22H25N3S2 — CID 58672198

IUPAC6-tert-butyl-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCC(C)(C)c1ccc2nc(Nc3nc4ccc(C(C)(C)C)cc4s3)sc2c1
InChIInChI=1S/C22H25N3S2/c1-21(2,3)13-7-9-15-17(11-13)26-19(23-15)25-20-24-16-10-8-14(22(4,5)6)12-18(16)27-20/h7-12H,1-6H3,(H,23,24,25)
InChIKeyWSOGMBQLGQJOBO-UHFFFAOYSA-N
MW395.60 g/mol
LogP7.24
Rot. Bonds2

About 6-tert-butyl-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine

6-tert-butyl-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 58672198) has the molecular formula C22H25N3S2 and a molecular weight of 395.60 g/mol. Its IUPAC name is 6-tert-butyl-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-tert-butyl-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID58672198
Molecular FormulaC22H25N3S2
Molecular Weight395.60 g/mol
Exact Mass395.15
IUPAC Name6-tert-butyl-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCC(C)(C)c1ccc2nc(Nc3nc4ccc(C(C)(C)C)cc4s3)sc2c1
InChIInChI=1S/C22H25N3S2/c1-21(2,3)13-7-9-15-17(11-13)26-19(23-15)25-20-24-16-10-8-14(22(4,5)6)12-18(16)27-20/h7-12H,1-6H3,(H,23,24,25)
InChIKeyWSOGMBQLGQJOBO-UHFFFAOYSA-N
XLogP7.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.60
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-tert-butyl-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79127962
2-(6-tert-butyl-1,3-benzothiazol-2-yl)propan-2-amine
CID 84633257
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
CID 53269145
phenyl N-(6-tert-butyl-1,3-benzothiazol-2-yl)carbamate
CID 53268833
N-(6-tert-butyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 53268944
6-tert-butyl-2-ethyl-1,3-benzothiazole;ethane
CID 142320199
(E)-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide
CID 53268886
N-(1,3-benzothiazol-2-yl)-5-tert-butyl-1,3-benzoxazol-2-amine
CID 50879002
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide
CID 53268856
6-tert-butyl-2-methyl-1,3-benzothiazole;2-tert-butyl-6-methylnaphthalene
CID 158521630
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
2-N-(2-phenylpropan-2-yl)-1,3-benzothiazole-2,6-diamine
CID 173095043

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-tert-butyl-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine (CID 58672198) is 6-tert-butyl-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-tert-butyl-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-tert-butyl-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine is CC(C)(C)c1ccc2nc(Nc3nc4ccc(C(C)(C)C)cc4s3)sc2c1.
What is the InChIKey of 6-tert-butyl-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is WSOGMBQLGQJOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3S2/c1-21(2,3)13-7-9-15-17(11-13)26-19(23-15)25-20-24-16-10-8-14(22(4,5)6)12-18(16)27-20/h7-12H,1-6H3,(H,23,24,25).
What are the key properties of 6-tert-butyl-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine?
6-tert-butyl-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 395.60 g/mol, XLogP of 7.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 58672198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).