2-[2-[(3-fluorophenyl)methoxy]phenyl]-1,3-benzothiazole

C20H14FNOS — CID 2972470

IUPAC2-[2-[(3-fluorophenyl)methoxy]phenyl]-1,3-benzothiazole
SMILESFc1cccc(COc2ccccc2-c2nc3ccccc3s2)c1
InChIInChI=1S/C20H14FNOS/c21-15-7-5-6-14(12-15)13-23-18-10-3-1-8-16(18)20-22-17-9-2-4-11-19(17)24-20/h1-12H,13H2
InChIKeyKWIIMJFCWPYEGM-UHFFFAOYSA-N
MW335.40 g/mol
LogP5.68
Rot. Bonds4

About 2-[2-[(3-fluorophenyl)methoxy]phenyl]-1,3-benzothiazole

2-[2-[(3-fluorophenyl)methoxy]phenyl]-1,3-benzothiazole (PubChem CID 2972470) has the molecular formula C20H14FNOS and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-[2-[(3-fluorophenyl)methoxy]phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[2-[(3-fluorophenyl)methoxy]phenyl]-1,3-benzothiazole
PubChem CID2972470
Molecular FormulaC20H14FNOS
Molecular Weight335.40 g/mol
Exact Mass335.08
IUPAC Name2-[2-[(3-fluorophenyl)methoxy]phenyl]-1,3-benzothiazole
SMILESFc1cccc(COc2ccccc2-c2nc3ccccc3s2)c1
InChIInChI=1S/C20H14FNOS/c21-15-7-5-6-14(12-15)13-23-18-10-3-1-8-16(18)20-22-17-9-2-4-11-19(17)24-20/h1-12H,13H2
InChIKeyKWIIMJFCWPYEGM-UHFFFAOYSA-N
XLogP5.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.40
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2'-Hydroxyphenyl)benzothiazole
CID 18874
2-(4-Methoxyphenyl)benzothiazole
CID 95753
2-(Phenoxymethyl)-1,3-benzothiazole
CID 700590
4-(Benzo(D)Thiazol-2-Ylmethoxy)-2-Methylaniline
CID 935400
GW-610
CID 6712941
2-(2'-Hydroxy-3'-methoxyphenyl)benzothiazole
CID 95754
2-(2-Methoxyphenyl)benzothiazole
CID 95764
3-(2-Benzothiazolyl)coumarin
CID 395989
1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenyl]ethyl}piperidin-4-ol
CID 11416924
2-{4-[2-(Piperidin-1-yl)ethyl]phenoxy}-1,3-benzothiazole
CID 11427736
2-[4-(Piperidin-1-ylmethyl)phenoxy]-1,3-benzothiazole
CID 11472798
4-(6-Methoxy-1,3-benzothiazol-2-yl)aniline
CID 391870

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-fluorophenyl)methoxy]phenyl]-1,3-benzothiazole?
The IUPAC name of 2-[2-[(3-fluorophenyl)methoxy]phenyl]-1,3-benzothiazole (CID 2972470) is 2-[2-[(3-fluorophenyl)methoxy]phenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[2-[(3-fluorophenyl)methoxy]phenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[2-[(3-fluorophenyl)methoxy]phenyl]-1,3-benzothiazole is Fc1cccc(COc2ccccc2-c2nc3ccccc3s2)c1.
What is the InChIKey of 2-[2-[(3-fluorophenyl)methoxy]phenyl]-1,3-benzothiazole?
The InChIKey is KWIIMJFCWPYEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNOS/c21-15-7-5-6-14(12-15)13-23-18-10-3-1-8-16(18)20-22-17-9-2-4-11-19(17)24-20/h1-12H,13H2.
What are the key properties of 2-[2-[(3-fluorophenyl)methoxy]phenyl]-1,3-benzothiazole?
2-[2-[(3-fluorophenyl)methoxy]phenyl]-1,3-benzothiazole has a molecular weight of 335.40 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-fluorophenyl)methoxy]phenyl]-1,3-benzothiazole is sourced from PubChem (CID 2972470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).