2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide

C17H16N2O3S — CID 4663110

IUPAC2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc3nc(C)sc3c2)cc1
InChIInChI=1S/C17H16N2O3S/c1-11-18-15-8-3-12(9-16(15)23-11)19-17(20)10-22-14-6-4-13(21-2)5-7-14/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyRSDVSPKERNDFKT-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.63
Rot. Bonds5

About 2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide

2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 4663110) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
PubChem CID4663110
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc3nc(C)sc3c2)cc1
InChIInChI=1S/C17H16N2O3S/c1-11-18-15-8-3-12(9-16(15)23-11)19-17(20)10-22-14-6-4-13(21-2)5-7-14/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyRSDVSPKERNDFKT-UHFFFAOYSA-N
XLogP3.63
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Phenoxymethyl)-1,3-benzothiazole
CID 700590
2-{4-[2-(Azepan-1-yl)ethoxy]phenoxy}-1,3-benzothiazole
CID 11257168
2-{4-[2-(Pyrrolidin-1-yl)ethoxy]phenoxy}-1,3-benzothiazole
CID 11484587
2-{4-[2-(Piperidin-1-yl)ethoxy]phenoxy}-1,3-benzothiazole
CID 24901580
4-{2-[4-(1,3-Benzothiazol-2-yloxy)phenoxy]ethyl}morpholine
CID 24901583
1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenoxy]ethyl}piperidine-4-carboxamide
CID 24901584
1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenoxy]ethyl}piperidin-4-amine
CID 24901585
N-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]propanamide
CID 851643
N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 724615
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenoxy)acetamide
CID 45103532
N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide
CID 2090688
2-(2-fluorophenoxy)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide
CID 2121814

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (CID 4663110) is 2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is COc1ccc(OCC(=O)Nc2ccc3nc(C)sc3c2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is RSDVSPKERNDFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-11-18-15-8-3-12(9-16(15)23-11)19-17(20)10-22-14-6-4-13(21-2)5-7-14/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide has a molecular weight of 328.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 4663110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).