2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole

C16H15NOS — CID 139783415

IUPAC2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole
SMILESCc1nc2cc(CCOc3ccccc3)ccc2s1
InChIInChI=1S/C16H15NOS/c1-12-17-15-11-13(7-8-16(15)19-12)9-10-18-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3
InChIKeyYLOAYGFABMHVQD-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.23
Rot. Bonds4

About 2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole

2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole (PubChem CID 139783415) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole
PubChem CID139783415
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole
SMILESCc1nc2cc(CCOc3ccccc3)ccc2s1
InChIInChI=1S/C16H15NOS/c1-12-17-15-11-13(7-8-16(15)19-12)9-10-18-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3
InChIKeyYLOAYGFABMHVQD-UHFFFAOYSA-N
XLogP4.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-5-(2-phenoxyethyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole?
The IUPAC name of 2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole (CID 139783415) is 2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole.
What is the SMILES notation for 2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole?
The canonical SMILES for 2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole is Cc1nc2cc(CCOc3ccccc3)ccc2s1.
What is the InChIKey of 2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole?
The InChIKey is YLOAYGFABMHVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-12-17-15-11-13(7-8-16(15)19-12)9-10-18-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3.
What are the key properties of 2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole?
2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole has a molecular weight of 269.37 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-phenoxyethyl)-1,3-benzothiazole is sourced from PubChem (CID 139783415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).