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

C18H15N3O3S3 — CID 90601766

IUPAC2-(3-methoxyphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide
SMILESCOc1cccc(OCC(=O)Nc2nc3ccc4nc(SC)sc4c3s2)c1
InChIInChI=1S/C18H15N3O3S3/c1-23-10-4-3-5-11(8-10)24-9-14(22)21-17-19-12-6-7-13-16(15(12)26-17)27-18(20-13)25-2/h3-8H,9H2,1-2H3,(H,19,21,22)
InChIKeyHJLRYNPXKVULPL-UHFFFAOYSA-N
MW417.54 g/mol
LogP4.65
Rot. Bonds6

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

2-(3-methoxyphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide (PubChem CID 90601766) has the molecular formula C18H15N3O3S3 and a molecular weight of 417.54 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide
PubChem CID90601766
Molecular FormulaC18H15N3O3S3
Molecular Weight417.54 g/mol
Exact Mass417.03
IUPAC Name2-(3-methoxyphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide
SMILESCOc1cccc(OCC(=O)Nc2nc3ccc4nc(SC)sc4c3s2)c1
InChIInChI=1S/C18H15N3O3S3/c1-23-10-4-3-5-11(8-10)24-9-14(22)21-17-19-12-6-7-13-16(15(12)26-17)27-18(20-13)25-2/h3-8H,9H2,1-2H3,(H,19,21,22)
InChIKeyHJLRYNPXKVULPL-UHFFFAOYSA-N
XLogP4.65
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-methylphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide
CID 90601789
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide
CID 2347857
2-(4-methoxyphenoxy)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide
CID 90601713
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-2-phenylacetamide
CID 5085616
2-(4-ethoxyphenyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide
CID 8719724
2-(2-methoxy-5-methylphenyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide
CID 16912108
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 43989031
N-(4-bromo-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 43989482
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 84559858
2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 16547554
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
2-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 71417144

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide (CID 90601766) is 2-(3-methoxyphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide is COc1cccc(OCC(=O)Nc2nc3ccc4nc(SC)sc4c3s2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide?
The InChIKey is HJLRYNPXKVULPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S3/c1-23-10-4-3-5-11(8-10)24-9-14(22)21-17-19-12-6-7-13-16(15(12)26-17)27-18(20-13)25-2/h3-8H,9H2,1-2H3,(H,19,21,22).
What are the key properties of 2-(3-methoxyphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide?
2-(3-methoxyphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide has a molecular weight of 417.54 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide is sourced from PubChem (CID 90601766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).