5-fluoro-2-(4-methoxy-3-methylphenyl)-1,3-benzothiazole

C15H12FNOS — CID 11651967

IUPAC5-fluoro-2-(4-methoxy-3-methylphenyl)-1,3-benzothiazole
SMILESCOc1ccc(-c2nc3cc(F)ccc3s2)cc1C
InChIInChI=1S/C15H12FNOS/c1-9-7-10(3-5-13(9)18-2)15-17-12-8-11(16)4-6-14(12)19-15/h3-8H,1-2H3
InChIKeyVAWRDVQMDNFJAX-UHFFFAOYSA-N
MW273.33 g/mol
LogP4.42
Rot. Bonds2

About 5-fluoro-2-(4-methoxy-3-methylphenyl)-1,3-benzothiazole

5-fluoro-2-(4-methoxy-3-methylphenyl)-1,3-benzothiazole (PubChem CID 11651967) has the molecular formula C15H12FNOS and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-fluoro-2-(4-methoxy-3-methylphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name5-fluoro-2-(4-methoxy-3-methylphenyl)-1,3-benzothiazole
PubChem CID11651967
Molecular FormulaC15H12FNOS
Molecular Weight273.33 g/mol
Exact Mass273.06
IUPAC Name5-fluoro-2-(4-methoxy-3-methylphenyl)-1,3-benzothiazole
SMILESCOc1ccc(-c2nc3cc(F)ccc3s2)cc1C
InChIInChI=1S/C15H12FNOS/c1-9-7-10(3-5-13(9)18-2)15-17-12-8-11(16)4-6-14(12)19-15/h3-8H,1-2H3
InChIKeyVAWRDVQMDNFJAX-UHFFFAOYSA-N
XLogP4.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-methoxy-3-methylphenyl)-1,3-benzothiazole?
The IUPAC name of 5-fluoro-2-(4-methoxy-3-methylphenyl)-1,3-benzothiazole (CID 11651967) is 5-fluoro-2-(4-methoxy-3-methylphenyl)-1,3-benzothiazole.
What is the SMILES notation for 5-fluoro-2-(4-methoxy-3-methylphenyl)-1,3-benzothiazole?
The canonical SMILES for 5-fluoro-2-(4-methoxy-3-methylphenyl)-1,3-benzothiazole is COc1ccc(-c2nc3cc(F)ccc3s2)cc1C.
What is the InChIKey of 5-fluoro-2-(4-methoxy-3-methylphenyl)-1,3-benzothiazole?
The InChIKey is VAWRDVQMDNFJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNOS/c1-9-7-10(3-5-13(9)18-2)15-17-12-8-11(16)4-6-14(12)19-15/h3-8H,1-2H3.
What are the key properties of 5-fluoro-2-(4-methoxy-3-methylphenyl)-1,3-benzothiazole?
5-fluoro-2-(4-methoxy-3-methylphenyl)-1,3-benzothiazole has a molecular weight of 273.33 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-methoxy-3-methylphenyl)-1,3-benzothiazole is sourced from PubChem (CID 11651967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).