3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole

C16H15NOS — CID 18683319

IUPAC3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole
SMILESCOc1ccc(C)cc1-c1nsc2ccc(C)cc12
InChIInChI=1S/C16H15NOS/c1-10-4-6-14(18-3)12(8-10)16-13-9-11(2)5-7-15(13)19-17-16/h4-9H,1-3H3
InChIKeyVOEKYKSZTQDUHC-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.59
Rot. Bonds2

About 3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole

3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole (PubChem CID 18683319) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole.

Molecular Properties

Compound Name3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole
PubChem CID18683319
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole
SMILESCOc1ccc(C)cc1-c1nsc2ccc(C)cc12
InChIInChI=1S/C16H15NOS/c1-10-4-6-14(18-3)12(8-10)16-13-9-11(2)5-7-15(13)19-17-16/h4-9H,1-3H3
InChIKeyVOEKYKSZTQDUHC-UHFFFAOYSA-N
XLogP4.59
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole?
The IUPAC name of 3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole (CID 18683319) is 3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole.
What is the SMILES notation for 3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole?
The canonical SMILES for 3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole is COc1ccc(C)cc1-c1nsc2ccc(C)cc12.
What is the InChIKey of 3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole?
The InChIKey is VOEKYKSZTQDUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-10-4-6-14(18-3)12(8-10)16-13-9-11(2)5-7-15(13)19-17-16/h4-9H,1-3H3.
What are the key properties of 3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole?
3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole has a molecular weight of 269.37 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole is sourced from PubChem (CID 18683319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).