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

C18H15N3O2S3 — CID 90601789

IUPAC2-(2-methylphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide
SMILESCSc1nc2ccc3nc(NC(=O)COc4ccccc4C)sc3c2s1
InChIInChI=1S/C18H15N3O2S3/c1-10-5-3-4-6-13(10)23-9-14(22)21-17-19-11-7-8-12-16(15(11)25-17)26-18(20-12)24-2/h3-8H,9H2,1-2H3,(H,19,21,22)
InChIKeyCFCSDMSBPYMWGJ-UHFFFAOYSA-N
MW401.54 g/mol
LogP4.95
Rot. Bonds5

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

2-(2-methylphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide (PubChem CID 90601789) has the molecular formula C18H15N3O2S3 and a molecular weight of 401.54 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide
PubChem CID90601789
Molecular FormulaC18H15N3O2S3
Molecular Weight401.54 g/mol
Exact Mass401.03
IUPAC Name2-(2-methylphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide
SMILESCSc1nc2ccc3nc(NC(=O)COc4ccccc4C)sc3c2s1
InChIInChI=1S/C18H15N3O2S3/c1-10-5-3-4-6-13(10)23-9-14(22)21-17-19-11-7-8-12-16(15(11)25-17)26-18(20-12)24-2/h3-8H,9H2,1-2H3,(H,19,21,22)
InChIKeyCFCSDMSBPYMWGJ-UHFFFAOYSA-N
XLogP4.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methoxyphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide
CID 90601766
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-2-phenylacetamide
CID 5085616
2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide
CID 19213777
methyl 4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 3146505
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
2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836392
2-(2-methylphenoxy)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19217708
2-fluoro-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 5159938
2-(2-chlorophenoxy)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 17100966
2-(2-methylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114261
4-(2-methylphenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 19218704

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide (CID 90601789) is 2-(2-methylphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide is CSc1nc2ccc3nc(NC(=O)COc4ccccc4C)sc3c2s1.
What is the InChIKey of 2-(2-methylphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide?
The InChIKey is CFCSDMSBPYMWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S3/c1-10-5-3-4-6-13(10)23-9-14(22)21-17-19-11-7-8-12-16(15(11)25-17)26-18(20-12)24-2/h3-8H,9H2,1-2H3,(H,19,21,22).
What are the key properties of 2-(2-methylphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide?
2-(2-methylphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide has a molecular weight of 401.54 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)acetamide is sourced from PubChem (CID 90601789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).