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

C19H20N2O4S — CID 24600014

IUPACN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide
SMILESCOc1cc2nc(NC(=O)COc3c(C)cccc3C)sc2cc1OC
InChIInChI=1S/C19H20N2O4S/c1-11-6-5-7-12(2)18(11)25-10-17(22)21-19-20-13-8-14(23-3)15(24-4)9-16(13)26-19/h5-9H,10H2,1-4H3,(H,20,21,22)
InChIKeyPWANPFKJVIKQTC-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.95
Rot. Bonds6

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

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide (PubChem CID 24600014) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide
PubChem CID24600014
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide
SMILESCOc1cc2nc(NC(=O)COc3c(C)cccc3C)sc2cc1OC
InChIInChI=1S/C19H20N2O4S/c1-11-6-5-7-12(2)18(11)25-10-17(22)21-19-20-13-8-14(23-3)15(24-4)9-16(13)26-19/h5-9H,10H2,1-4H3,(H,20,21,22)
InChIKeyPWANPFKJVIKQTC-UHFFFAOYSA-N
XLogP3.95
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217838
2-(2,6-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 1020058
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 19218417
2-(4-acetyl-2-methoxyphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4799893
N-(4,5-dimethoxy-2-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 7923885
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 35569922
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 7926150
2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836392
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-[2-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]acetamide
CID 118296707
1-benzyl-3-(5,6-dimethoxy-1,3-benzothiazol-2-yl)urea
CID 121081082
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 7543023
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 43980536

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide (CID 24600014) is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide is COc1cc2nc(NC(=O)COc3c(C)cccc3C)sc2cc1OC.
What is the InChIKey of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide?
The InChIKey is PWANPFKJVIKQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-11-6-5-7-12(2)18(11)25-10-17(22)21-19-20-13-8-14(23-3)15(24-4)9-16(13)26-19/h5-9H,10H2,1-4H3,(H,20,21,22).
What are the key properties of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide?
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide has a molecular weight of 372.45 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 24600014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).