4-methoxy-2-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]-1,3-benzothiazole

C18H15N3OS2 — CID 152873559

IUPAC4-methoxy-2-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]-1,3-benzothiazole
SMILESCOc1cccc2sc(Cc3nnc(-c4ccccc4C)s3)nc12
InChIInChI=1S/C18H15N3OS2/c1-11-6-3-4-7-12(11)18-21-20-16(24-18)10-15-19-17-13(22-2)8-5-9-14(17)23-15/h3-9H,10H2,1-2H3
InChIKeyTZWMWZINCWYLHY-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.72
Rot. Bonds4

About 4-methoxy-2-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]-1,3-benzothiazole

4-methoxy-2-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]-1,3-benzothiazole (PubChem CID 152873559) has the molecular formula C18H15N3OS2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-methoxy-2-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name4-methoxy-2-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]-1,3-benzothiazole
PubChem CID152873559
Molecular FormulaC18H15N3OS2
Molecular Weight353.47 g/mol
Exact Mass353.07
IUPAC Name4-methoxy-2-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]-1,3-benzothiazole
SMILESCOc1cccc2sc(Cc3nnc(-c4ccccc4C)s3)nc12
InChIInChI=1S/C18H15N3OS2/c1-11-6-3-4-7-12(11)18-21-20-16(24-18)10-15-19-17-13(22-2)8-5-9-14(17)23-15/h3-9H,10H2,1-2H3
InChIKeyTZWMWZINCWYLHY-UHFFFAOYSA-N
XLogP4.72
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-2-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]-1,3-benzothiazole 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-[[5-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methyl]-4-fluoro-1,3-benzothiazole
CID 159736899
2-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-5-(4-methoxy-2-methylphenyl)-1,3,4-oxadiazole
CID 160830437
2,5-bis(2-methylphenyl)-1,3,4-thiadiazole
CID 139674338
2-[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 81478873
2-(3-isocyano-4-methoxyphenyl)-5-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole
CID 159875924
2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole
CID 142679253
2-[2-(4-methyl-1,3-benzothiazol-2-yl)ethyl]aniline
CID 107273677
ethane;2-ethyl-4-methyl-1,3-benzothiazole
CID 91212419
2-(4-methoxy-1,3-benzothiazol-2-yl)propan-2-amine
CID 119087334
2-(2-methoxyphenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 90547098
2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole
CID 16766166
N-[2-[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 81478434

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]-1,3-benzothiazole?
The IUPAC name of 4-methoxy-2-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]-1,3-benzothiazole (CID 152873559) is 4-methoxy-2-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]-1,3-benzothiazole.
What is the SMILES notation for 4-methoxy-2-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]-1,3-benzothiazole?
The canonical SMILES for 4-methoxy-2-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]-1,3-benzothiazole is COc1cccc2sc(Cc3nnc(-c4ccccc4C)s3)nc12.
What is the InChIKey of 4-methoxy-2-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]-1,3-benzothiazole?
The InChIKey is TZWMWZINCWYLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS2/c1-11-6-3-4-7-12(11)18-21-20-16(24-18)10-15-19-17-13(22-2)8-5-9-14(17)23-15/h3-9H,10H2,1-2H3.
What are the key properties of 4-methoxy-2-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]-1,3-benzothiazole?
4-methoxy-2-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]-1,3-benzothiazole has a molecular weight of 353.47 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]-1,3-benzothiazole is sourced from PubChem (CID 152873559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).