2-(fluoromethyl)-4-methoxy-1,3-benzothiazole

C9H8FNOS — CID 89060222

IUPAC2-(fluoromethyl)-4-methoxy-1,3-benzothiazole
SMILESCOc1cccc2sc(CF)nc12
InChIInChI=1S/C9H8FNOS/c1-12-6-3-2-4-7-9(6)11-8(5-10)13-7/h2-4H,5H2,1H3
InChIKeySLSSIAOGPGBERQ-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.77
Rot. Bonds2

About 2-(fluoromethyl)-4-methoxy-1,3-benzothiazole

2-(fluoromethyl)-4-methoxy-1,3-benzothiazole (PubChem CID 89060222) has the molecular formula C9H8FNOS and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(fluoromethyl)-4-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-(fluoromethyl)-4-methoxy-1,3-benzothiazole
PubChem CID89060222
Molecular FormulaC9H8FNOS
Molecular Weight197.23 g/mol
Exact Mass197.03
IUPAC Name2-(fluoromethyl)-4-methoxy-1,3-benzothiazole
SMILESCOc1cccc2sc(CF)nc12
InChIInChI=1S/C9H8FNOS/c1-12-6-3-2-4-7-9(6)11-8(5-10)13-7/h2-4H,5H2,1H3
InChIKeySLSSIAOGPGBERQ-UHFFFAOYSA-N
XLogP2.77
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-4-methoxy-1,3-benzothiazole?
The IUPAC name of 2-(fluoromethyl)-4-methoxy-1,3-benzothiazole (CID 89060222) is 2-(fluoromethyl)-4-methoxy-1,3-benzothiazole.
What is the SMILES notation for 2-(fluoromethyl)-4-methoxy-1,3-benzothiazole?
The canonical SMILES for 2-(fluoromethyl)-4-methoxy-1,3-benzothiazole is COc1cccc2sc(CF)nc12.
What is the InChIKey of 2-(fluoromethyl)-4-methoxy-1,3-benzothiazole?
The InChIKey is SLSSIAOGPGBERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNOS/c1-12-6-3-2-4-7-9(6)11-8(5-10)13-7/h2-4H,5H2,1H3.
What are the key properties of 2-(fluoromethyl)-4-methoxy-1,3-benzothiazole?
2-(fluoromethyl)-4-methoxy-1,3-benzothiazole has a molecular weight of 197.23 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-4-methoxy-1,3-benzothiazole is sourced from PubChem (CID 89060222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).