N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide

C20H22N2O2S — CID 35569922

IUPACN-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCc1cc2nc(NC(=O)COc3ccccc3C(C)C)sc2cc1C
InChIInChI=1S/C20H22N2O2S/c1-12(2)15-7-5-6-8-17(15)24-11-19(23)22-20-21-16-9-13(3)14(4)10-18(16)25-20/h5-10,12H,11H2,1-4H3,(H,21,22,23)
InChIKeyUUEQTYWGMUPTOC-UHFFFAOYSA-N
MW354.48 g/mol
LogP5.05
Rot. Bonds5

About N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide

N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 35569922) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID35569922
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCc1cc2nc(NC(=O)COc3ccccc3C(C)C)sc2cc1C
InChIInChI=1S/C20H22N2O2S/c1-12(2)15-7-5-6-8-17(15)24-11-19(23)22-20-21-16-9-13(3)14(4)10-18(16)25-20/h5-10,12H,11H2,1-4H3,(H,21,22,23)
InChIKeyUUEQTYWGMUPTOC-UHFFFAOYSA-N
XLogP5.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.48
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 7770883
2-(2-propan-2-ylphenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19178841
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide
CID 24600014
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
CID 4237233
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 7924308
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-propan-2-ylphenoxy)acetamide
CID 19228036
2-(5-methyl-2-propan-2-ylphenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 1075300
4-[4-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethoxy]-3-propan-2-ylphenyl]-4-oxobut-2-enoic acid
CID 54214798
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(2-propan-2-ylphenoxy)acetamide
CID 16548028
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide
CID 53268881
2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide
CID 19213777
2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836392

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide (CID 35569922) is N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide is Cc1cc2nc(NC(=O)COc3ccccc3C(C)C)sc2cc1C.
What is the InChIKey of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is UUEQTYWGMUPTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-12(2)15-7-5-6-8-17(15)24-11-19(23)22-20-21-16-9-13(3)14(4)10-18(16)25-20/h5-10,12H,11H2,1-4H3,(H,21,22,23).
What are the key properties of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide?
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 354.48 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 35569922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).