2-(4-tert-butylphenyl)-1,3-benzothiazole

C17H17NS — CID 709072

IUPAC2-(4-tert-butylphenyl)-1,3-benzothiazole
SMILESCC(C)(C)c1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C17H17NS/c1-17(2,3)13-10-8-12(9-11-13)16-18-14-6-4-5-7-15(14)19-16/h4-11H,1-3H3
InChIKeyRBKGJKUWWDNBNT-UHFFFAOYSA-N
MW267.40 g/mol
LogP5.26
Rot. Bonds1

About 2-(4-tert-butylphenyl)-1,3-benzothiazole

2-(4-tert-butylphenyl)-1,3-benzothiazole (PubChem CID 709072) has the molecular formula C17H17NS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1,3-benzothiazole
PubChem CID709072
Molecular FormulaC17H17NS
Molecular Weight267.40 g/mol
Exact Mass267.11
IUPAC Name2-(4-tert-butylphenyl)-1,3-benzothiazole
SMILESCC(C)(C)c1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C17H17NS/c1-17(2,3)13-10-8-12(9-11-13)16-18-14-6-4-5-7-15(14)19-16/h4-11H,1-3H3
InChIKeyRBKGJKUWWDNBNT-UHFFFAOYSA-N
XLogP5.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.40
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylbenzothiazole
CID 8446
2-(p-Dimethylaminostyryl)benzothiazole
CID 5378081
Thioflavin T
CID 16953
Fostedil
CID 53421
2-(4-Aminophenyl)-6-methylbenzothiazole
CID 7087
4-(1,3-Benzothiazol-2-Yl)-2-Methylaniline
CID 384525
2-(4-Aminophenyl)benzothiazole
CID 234475
4-(1,3-benzothiazol-2-yl)-N,N-dimethylaniline
CID 95755
2-Phenylbenzothiazole
CID 13439
4-(5-Fluoro-1,3-benzothiazol-2-yl)-2-methylaniline
CID 396813
Benzenamine, N,N-dimethyl-4-(6-methyl-2-benzothiazolyl)-
CID 82450
2,5,6-Trimethylbenzothiazole
CID 79765

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1,3-benzothiazole?
The IUPAC name of 2-(4-tert-butylphenyl)-1,3-benzothiazole (CID 709072) is 2-(4-tert-butylphenyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1,3-benzothiazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-1,3-benzothiazole is CC(C)(C)c1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1,3-benzothiazole?
The InChIKey is RBKGJKUWWDNBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NS/c1-17(2,3)13-10-8-12(9-11-13)16-18-14-6-4-5-7-15(14)19-16/h4-11H,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-1,3-benzothiazole?
2-(4-tert-butylphenyl)-1,3-benzothiazole has a molecular weight of 267.40 g/mol, XLogP of 5.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1,3-benzothiazole is sourced from PubChem (CID 709072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).