1-fluoro-2-[4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]propan-2-ol

C17H16FNO2S — CID 163935562

IUPAC1-fluoro-2-[4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]propan-2-ol
SMILESCc1nc2ccc(Oc3ccc(C(C)(O)CF)cc3)cc2s1
InChIInChI=1S/C17H16FNO2S/c1-11-19-15-8-7-14(9-16(15)22-11)21-13-5-3-12(4-6-13)17(2,20)10-18/h3-9,20H,10H2,1-2H3
InChIKeyYCROCWOJHWKCLK-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.57
Rot. Bonds4

About 1-fluoro-2-[4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]propan-2-ol

1-fluoro-2-[4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]propan-2-ol (PubChem CID 163935562) has the molecular formula C17H16FNO2S and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-fluoro-2-[4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]propan-2-ol.

Molecular Properties

Compound Name1-fluoro-2-[4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]propan-2-ol
PubChem CID163935562
Molecular FormulaC17H16FNO2S
Molecular Weight317.39 g/mol
Exact Mass317.09
IUPAC Name1-fluoro-2-[4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]propan-2-ol
SMILESCc1nc2ccc(Oc3ccc(C(C)(O)CF)cc3)cc2s1
InChIInChI=1S/C17H16FNO2S/c1-11-19-15-8-7-14(9-16(15)22-11)21-13-5-3-12(4-6-13)17(2,20)10-18/h3-9,20H,10H2,1-2H3
InChIKeyYCROCWOJHWKCLK-UHFFFAOYSA-N
XLogP4.57
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorophenoxy)-2-methyl-1,3-benzothiazole
CID 134093726
1-[(2-methyl-1,3-benzothiazol-6-yl)oxy]butan-2-ol
CID 90124996
2-methyl-6-(2-methylpropoxy)-1,3-benzothiazole
CID 58125430
6-tert-butyl-2-methyl-1,3-benzothiazole;2-tert-butyl-6-methylnaphthalene
CID 158521630
4-[(2-methyl-1,3-benzothiazol-6-yl)oxymethyl]benzoic acid
CID 82189810
3-[(2-methyl-1,3-benzothiazol-6-yl)oxymethyl]benzoic acid
CID 82189809
2-methyl-6-[[(2S)-oxiran-2-yl]methoxy]-1,3-benzothiazole
CID 94044665
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(2-methyl-1,3-benzothiazol-6-yl)borinic acid
CID 90175238
diethyl sulfate;6-ethoxy-2-methyl-1,3-benzothiazole
CID 157280824
3-(2-methyl-1,3-benzothiazol-6-yl)propan-1-amine
CID 45097023
4-fluoro-2-[4-(3-methylphenoxy)phenyl]butan-2-ol
CID 21396558
4-hydroxy-7-[(2-methyl-1,3-benzothiazol-6-yl)oxy]-N-(2-oxopropyl)isoquinoline-3-carboxamide
CID 91201289

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]propan-2-ol?
The IUPAC name of 1-fluoro-2-[4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]propan-2-ol (CID 163935562) is 1-fluoro-2-[4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]propan-2-ol.
What is the SMILES notation for 1-fluoro-2-[4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]propan-2-ol?
The canonical SMILES for 1-fluoro-2-[4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]propan-2-ol is Cc1nc2ccc(Oc3ccc(C(C)(O)CF)cc3)cc2s1.
What is the InChIKey of 1-fluoro-2-[4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]propan-2-ol?
The InChIKey is YCROCWOJHWKCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2S/c1-11-19-15-8-7-14(9-16(15)22-11)21-13-5-3-12(4-6-13)17(2,20)10-18/h3-9,20H,10H2,1-2H3.
What are the key properties of 1-fluoro-2-[4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]propan-2-ol?
1-fluoro-2-[4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]propan-2-ol has a molecular weight of 317.39 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[4-[(2-methyl-1,3-benzothiazol-6-yl)oxy]phenyl]propan-2-ol is sourced from PubChem (CID 163935562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).