N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide

C21H24N2O2S — CID 53268762

IUPACN-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2nc3ccc(C(C)(C)C)cc3s2)c1
InChIInChI=1S/C21H24N2O2S/c1-13-6-7-14(2)17(10-13)25-12-19(24)23-20-22-16-9-8-15(21(3,4)5)11-18(16)26-20/h6-11H,12H2,1-5H3,(H,22,23,24)
InChIKeyVXGKYRCGSBKKMN-UHFFFAOYSA-N
MW368.50 g/mol
LogP5.23
Rot. Bonds4

About N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide

N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide (PubChem CID 53268762) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide
PubChem CID53268762
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2nc3ccc(C(C)(C)C)cc3s2)c1
InChIInChI=1S/C21H24N2O2S/c1-13-6-7-14(2)17(10-13)25-12-19(24)23-20-22-16-9-8-15(21(3,4)5)11-18(16)26-20/h6-11H,12H2,1-5H3,(H,22,23,24)
InChIKeyVXGKYRCGSBKKMN-UHFFFAOYSA-N
XLogP5.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 53268787
2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836392
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide
CID 53268881
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 53268763
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 108745532
2-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836502
N-(6-butoxy-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenoxy)acetamide
CID 19218142
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(5-methyl-2-nitrophenoxy)acetamide
CID 51184950
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19173855
2-(5-methyl-2-propan-2-ylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 1075300
3-(tert-butylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 60851102
2-(2,5-dimethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 715604

Frequently Asked Questions

What is the IUPAC name of N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide (CID 53268762) is N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide is Cc1ccc(C)c(OCC(=O)Nc2nc3ccc(C(C)(C)C)cc3s2)c1.
What is the InChIKey of N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide?
The InChIKey is VXGKYRCGSBKKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-13-6-7-14(2)17(10-13)25-12-19(24)23-20-22-16-9-8-15(21(3,4)5)11-18(16)26-20/h6-11H,12H2,1-5H3,(H,22,23,24).
What are the key properties of N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide?
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide has a molecular weight of 368.50 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 53268762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).