6-methoxy-3-phenyl-1,2-benzothiazole

C14H11NOS — CID 146163286

IUPAC6-methoxy-3-phenyl-1,2-benzothiazole
SMILESCOc1ccc2c(-c3ccccc3)nsc2c1
InChIInChI=1S/C14H11NOS/c1-16-11-7-8-12-13(9-11)17-15-14(12)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeySKWAJSUIQXAYSD-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.97
Rot. Bonds2

About 6-methoxy-3-phenyl-1,2-benzothiazole

6-methoxy-3-phenyl-1,2-benzothiazole (PubChem CID 146163286) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 6-methoxy-3-phenyl-1,2-benzothiazole.

Molecular Properties

Compound Name6-methoxy-3-phenyl-1,2-benzothiazole
PubChem CID146163286
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name6-methoxy-3-phenyl-1,2-benzothiazole
SMILESCOc1ccc2c(-c3ccccc3)nsc2c1
InChIInChI=1S/C14H11NOS/c1-16-11-7-8-12-13(9-11)17-15-14(12)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeySKWAJSUIQXAYSD-UHFFFAOYSA-N
XLogP3.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 445992
CID 445992
CID 13427179
CID 13427179
CID 38736
CID 38736
CID 511722
CID 511722
CID 13952025
CID 13952025
CID 198771
CID 198771
CID 146163285
CID 146163285
CID 13270203
CID 13270203
CID 13270205
CID 13270205
CID 13270208
CID 13270208
CID 14086969
CID 14086969
CID 12607085
CID 12607085

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-phenyl-1,2-benzothiazole?
The IUPAC name of 6-methoxy-3-phenyl-1,2-benzothiazole (CID 146163286) is 6-methoxy-3-phenyl-1,2-benzothiazole.
What is the SMILES notation for 6-methoxy-3-phenyl-1,2-benzothiazole?
The canonical SMILES for 6-methoxy-3-phenyl-1,2-benzothiazole is COc1ccc2c(-c3ccccc3)nsc2c1.
What is the InChIKey of 6-methoxy-3-phenyl-1,2-benzothiazole?
The InChIKey is SKWAJSUIQXAYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c1-16-11-7-8-12-13(9-11)17-15-14(12)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 6-methoxy-3-phenyl-1,2-benzothiazole?
6-methoxy-3-phenyl-1,2-benzothiazole has a molecular weight of 241.32 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-phenyl-1,2-benzothiazole is sourced from PubChem (CID 146163286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).