2-(4-methoxyphenoxy)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide

C18H15N3O3S2 — CID 90601713

IUPAC2-(4-methoxyphenoxy)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1
InChIInChI=1S/C18H15N3O3S2/c1-10-19-13-7-8-14-17(16(13)25-10)26-18(20-14)21-15(22)9-24-12-5-3-11(23-2)4-6-12/h3-8H,9H2,1-2H3,(H,20,21,22)
InChIKeyHINCGWYIRUQYGL-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.24
Rot. Bonds5

About 2-(4-methoxyphenoxy)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide

2-(4-methoxyphenoxy)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide (PubChem CID 90601713) has the molecular formula C18H15N3O3S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide
PubChem CID90601713
Molecular FormulaC18H15N3O3S2
Molecular Weight385.47 g/mol
Exact Mass385.06
IUPAC Name2-(4-methoxyphenoxy)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1
InChIInChI=1S/C18H15N3O3S2/c1-10-19-13-7-8-14-17(16(13)25-10)26-18(20-14)21-15(22)9-24-12-5-3-11(23-2)4-6-12/h3-8H,9H2,1-2H3,(H,20,21,22)
InChIKeyHINCGWYIRUQYGL-UHFFFAOYSA-N
XLogP4.24
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-methoxyphenoxy)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide with MolForge

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Related Compounds

3-(4-methoxyphenyl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide
CID 41323655
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19173855
2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 16547554
2-(4-ethylphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2484391
2-(3-methoxyphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide
CID 90601766
2-(4-cyanophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 35727768
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 43988945
N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 53269183
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 733423
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 19214374
2-(4-ethoxyphenoxy)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 43988981
2-(3-methylphenyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide
CID 90601738

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide (CID 90601713) is 2-(4-methoxyphenoxy)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide is COc1ccc(OCC(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide?
The InChIKey is HINCGWYIRUQYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S2/c1-10-19-13-7-8-14-17(16(13)25-10)26-18(20-14)21-15(22)9-24-12-5-3-11(23-2)4-6-12/h3-8H,9H2,1-2H3,(H,20,21,22).
What are the key properties of 2-(4-methoxyphenoxy)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide?
2-(4-methoxyphenoxy)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide has a molecular weight of 385.47 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide is sourced from PubChem (CID 90601713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).