4-(5-fluoro-1,3-benzothiazol-2-yl)-3-methylphenol

C14H10FNOS — CID 136750939

IUPAC4-(5-fluoro-1,3-benzothiazol-2-yl)-3-methylphenol
SMILESCc1cc(O)ccc1-c1nc2cc(F)ccc2s1
InChIInChI=1S/C14H10FNOS/c1-8-6-10(17)3-4-11(8)14-16-12-7-9(15)2-5-13(12)18-14/h2-7,17H,1H3
InChIKeyKGFVMEYCOIMFGI-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.12
Rot. Bonds1

About 4-(5-fluoro-1,3-benzothiazol-2-yl)-3-methylphenol

4-(5-fluoro-1,3-benzothiazol-2-yl)-3-methylphenol (PubChem CID 136750939) has the molecular formula C14H10FNOS and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(5-fluoro-1,3-benzothiazol-2-yl)-3-methylphenol.

Molecular Properties

Compound Name4-(5-fluoro-1,3-benzothiazol-2-yl)-3-methylphenol
PubChem CID136750939
Molecular FormulaC14H10FNOS
Molecular Weight259.31 g/mol
Exact Mass259.05
IUPAC Name4-(5-fluoro-1,3-benzothiazol-2-yl)-3-methylphenol
SMILESCc1cc(O)ccc1-c1nc2cc(F)ccc2s1
InChIInChI=1S/C14H10FNOS/c1-8-6-10(17)3-4-11(8)14-16-12-7-9(15)2-5-13(12)18-14/h2-7,17H,1H3
InChIKeyKGFVMEYCOIMFGI-UHFFFAOYSA-N
XLogP4.12
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)phenol
CID 136750938
3-fluoro-4-(5-fluoro-1,3-benzothiazol-2-yl)aniline
CID 107795244
2-(5-fluoro-1,3-benzothiazol-2-yl)-3,6-dimethylbenzoic acid
CID 103429906
2-fluoro-4-(5-fluoro-1,3-benzothiazol-2-yl)-6-methylaniline
CID 134517914
2-(5-fluoro-1,3-benzothiazol-2-yl)-4,5-dimethoxyaniline
CID 43305621
2-(4-fluorophenyl)-1,3-benzothiazol-6-ol
CID 16734166
4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]phenol
CID 43306339
3-fluoro-4-[6-(methylamino)-1,3-benzothiazol-2-yl]phenol
CID 135610914
4-tert-butyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 114359500
3-fluoro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenol
CID 136751643
5-chloro-2-(2-methylphenyl)-1,3-benzothiazole
CID 135074846
4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)benzene-1,3-diol
CID 136903734

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1,3-benzothiazol-2-yl)-3-methylphenol?
The IUPAC name of 4-(5-fluoro-1,3-benzothiazol-2-yl)-3-methylphenol (CID 136750939) is 4-(5-fluoro-1,3-benzothiazol-2-yl)-3-methylphenol.
What is the SMILES notation for 4-(5-fluoro-1,3-benzothiazol-2-yl)-3-methylphenol?
The canonical SMILES for 4-(5-fluoro-1,3-benzothiazol-2-yl)-3-methylphenol is Cc1cc(O)ccc1-c1nc2cc(F)ccc2s1.
What is the InChIKey of 4-(5-fluoro-1,3-benzothiazol-2-yl)-3-methylphenol?
The InChIKey is KGFVMEYCOIMFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNOS/c1-8-6-10(17)3-4-11(8)14-16-12-7-9(15)2-5-13(12)18-14/h2-7,17H,1H3.
What are the key properties of 4-(5-fluoro-1,3-benzothiazol-2-yl)-3-methylphenol?
4-(5-fluoro-1,3-benzothiazol-2-yl)-3-methylphenol has a molecular weight of 259.31 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1,3-benzothiazol-2-yl)-3-methylphenol is sourced from PubChem (CID 136750939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).