5-[(4-fluorophenyl)methoxy]-2-methylthieno[2,3-e][1,3]benzothiazole

C17H12FNOS2 — CID 8006847

IUPAC5-[(4-fluorophenyl)methoxy]-2-methylthieno[2,3-e][1,3]benzothiazole
SMILESCc1nc2c(cc(OCc3ccc(F)cc3)c3ccsc32)s1
InChIInChI=1S/C17H12FNOS2/c1-10-19-16-15(22-10)8-14(13-6-7-21-17(13)16)20-9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3
InChIKeyHZMNSIRJEGMFOP-UHFFFAOYSA-N
MW329.42 g/mol
LogP5.54
Rot. Bonds3

About 5-[(4-fluorophenyl)methoxy]-2-methylthieno[2,3-e][1,3]benzothiazole

5-[(4-fluorophenyl)methoxy]-2-methylthieno[2,3-e][1,3]benzothiazole (PubChem CID 8006847) has the molecular formula C17H12FNOS2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-2-methylthieno[2,3-e][1,3]benzothiazole.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-2-methylthieno[2,3-e][1,3]benzothiazole
PubChem CID8006847
Molecular FormulaC17H12FNOS2
Molecular Weight329.42 g/mol
Exact Mass329.03
IUPAC Name5-[(4-fluorophenyl)methoxy]-2-methylthieno[2,3-e][1,3]benzothiazole
SMILESCc1nc2c(cc(OCc3ccc(F)cc3)c3ccsc32)s1
InChIInChI=1S/C17H12FNOS2/c1-10-19-16-15(22-10)8-14(13-6-7-21-17(13)16)20-9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3
InChIKeyHZMNSIRJEGMFOP-UHFFFAOYSA-N
XLogP5.54
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.42
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-methylthieno[2,3-e][1,3]benzothiazole?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-methylthieno[2,3-e][1,3]benzothiazole (CID 8006847) is 5-[(4-fluorophenyl)methoxy]-2-methylthieno[2,3-e][1,3]benzothiazole.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-2-methylthieno[2,3-e][1,3]benzothiazole?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-2-methylthieno[2,3-e][1,3]benzothiazole is Cc1nc2c(cc(OCc3ccc(F)cc3)c3ccsc32)s1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-2-methylthieno[2,3-e][1,3]benzothiazole?
The InChIKey is HZMNSIRJEGMFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNOS2/c1-10-19-16-15(22-10)8-14(13-6-7-21-17(13)16)20-9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-2-methylthieno[2,3-e][1,3]benzothiazole?
5-[(4-fluorophenyl)methoxy]-2-methylthieno[2,3-e][1,3]benzothiazole has a molecular weight of 329.42 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-2-methylthieno[2,3-e][1,3]benzothiazole is sourced from PubChem (CID 8006847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).