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

C18H15N3OS2 — CID 90601738

IUPAC2-(3-methylphenyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide
SMILESCc1cccc(CC(=O)Nc2nc3ccc4nc(C)sc4c3s2)c1
InChIInChI=1S/C18H15N3OS2/c1-10-4-3-5-12(8-10)9-15(22)21-18-20-14-7-6-13-16(17(14)24-18)23-11(2)19-13/h3-8H,9H2,1-2H3,(H,20,21,22)
InChIKeyZQBKFZZMFDQOCB-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.70
Rot. Bonds3

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

2-(3-methylphenyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide (PubChem CID 90601738) has the molecular formula C18H15N3OS2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide
PubChem CID90601738
Molecular FormulaC18H15N3OS2
Molecular Weight353.47 g/mol
Exact Mass353.07
IUPAC Name2-(3-methylphenyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide
SMILESCc1cccc(CC(=O)Nc2nc3ccc4nc(C)sc4c3s2)c1
InChIInChI=1S/C18H15N3OS2/c1-10-4-3-5-12(8-10)9-15(22)21-18-20-14-7-6-13-16(17(14)24-18)23-11(2)19-13/h3-8H,9H2,1-2H3,(H,20,21,22)
InChIKeyZQBKFZZMFDQOCB-UHFFFAOYSA-N
XLogP4.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide
CID 41107549
N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16838702
N-[6-[2-(3-methylanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289861
2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 6468138
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-2-phenylacetamide
CID 5085616
2-(4-methoxyphenoxy)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide
CID 90601713
3-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide
CID 18560845
3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid
CID 17127022
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)acetamide
CID 11839743
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)acetamide
CID 62389793
N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide (CID 90601738) is 2-(3-methylphenyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide is Cc1cccc(CC(=O)Nc2nc3ccc4nc(C)sc4c3s2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide?
The InChIKey is ZQBKFZZMFDQOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS2/c1-10-4-3-5-12(8-10)9-15(22)21-18-20-14-7-6-13-16(17(14)24-18)23-11(2)19-13/h3-8H,9H2,1-2H3,(H,20,21,22).
What are the key properties of 2-(3-methylphenyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide?
2-(3-methylphenyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide is sourced from PubChem (CID 90601738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).