2-(4-fluorophenyl)-6-methoxy-4-methyl-1,3-benzothiazole

C15H12FNOS — CID 71189646

IUPAC2-(4-fluorophenyl)-6-methoxy-4-methyl-1,3-benzothiazole
SMILESCOc1cc(C)c2nc(-c3ccc(F)cc3)sc2c1
InChIInChI=1S/C15H12FNOS/c1-9-7-12(18-2)8-13-14(9)17-15(19-13)10-3-5-11(16)6-4-10/h3-8H,1-2H3
InChIKeyRYPNUNJGYLZEIL-UHFFFAOYSA-N
MW273.33 g/mol
LogP4.42
Rot. Bonds2

About 2-(4-fluorophenyl)-6-methoxy-4-methyl-1,3-benzothiazole

2-(4-fluorophenyl)-6-methoxy-4-methyl-1,3-benzothiazole (PubChem CID 71189646) has the molecular formula C15H12FNOS and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-methoxy-4-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-methoxy-4-methyl-1,3-benzothiazole
PubChem CID71189646
Molecular FormulaC15H12FNOS
Molecular Weight273.33 g/mol
Exact Mass273.06
IUPAC Name2-(4-fluorophenyl)-6-methoxy-4-methyl-1,3-benzothiazole
SMILESCOc1cc(C)c2nc(-c3ccc(F)cc3)sc2c1
InChIInChI=1S/C15H12FNOS/c1-9-7-12(18-2)8-13-14(9)17-15(19-13)10-3-5-11(16)6-4-10/h3-8H,1-2H3
InChIKeyRYPNUNJGYLZEIL-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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Related Compounds

2-(4-Methoxyphenyl)benzothiazole
CID 95753
4-(Benzo(D)Thiazol-2-Ylmethoxy)-2-Methylaniline
CID 935400
GW-610
CID 6712941
4-(6-Methoxy-1,3-benzothiazol-2-yl)aniline
CID 391870
2-(2-Methoxyphenyl)benzothiazole
CID 95764
6-Methoxy-2-methylbenzothiazole
CID 76254
2-(3,4-Diethoxyphenyl)-5-fluorobenzothiazole
CID 11666845
6-Methoxy-2-(4-methylaminophenyl)benzothiazole
CID 9835167
2-(4-Fluorophenyl)-6-methoxy-1,3-benzothiazole
CID 12179987
2-(4-Fluorophenyl)-6-hydroxybenzothiazole
CID 16734166
4-[6-(6-Methoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]aniline
CID 44428897
2-(3-Methoxyphenyl)-1,3-benzothiazole
CID 833673

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-methoxy-4-methyl-1,3-benzothiazole?
The IUPAC name of 2-(4-fluorophenyl)-6-methoxy-4-methyl-1,3-benzothiazole (CID 71189646) is 2-(4-fluorophenyl)-6-methoxy-4-methyl-1,3-benzothiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-6-methoxy-4-methyl-1,3-benzothiazole?
The canonical SMILES for 2-(4-fluorophenyl)-6-methoxy-4-methyl-1,3-benzothiazole is COc1cc(C)c2nc(-c3ccc(F)cc3)sc2c1.
What is the InChIKey of 2-(4-fluorophenyl)-6-methoxy-4-methyl-1,3-benzothiazole?
The InChIKey is RYPNUNJGYLZEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNOS/c1-9-7-12(18-2)8-13-14(9)17-15(19-13)10-3-5-11(16)6-4-10/h3-8H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-6-methoxy-4-methyl-1,3-benzothiazole?
2-(4-fluorophenyl)-6-methoxy-4-methyl-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 2-(4-fluorophenyl)-6-methoxy-4-methyl-1,3-benzothiazole is sourced from PubChem (CID 71189646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).