2-(3-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol

C15H16FNOS — CID 55032374

IUPAC2-(3-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCC1(C)Cc2nc(-c3cccc(F)c3)sc2C(O)C1
InChIInChI=1S/C15H16FNOS/c1-15(2)7-11-13(12(18)8-15)19-14(17-11)9-4-3-5-10(16)6-9/h3-6,12,18H,7-8H2,1-2H3
InChIKeyGQXBURJHYICKSV-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.95
Rot. Bonds1

About 2-(3-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol

2-(3-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (PubChem CID 55032374) has the molecular formula C15H16FNOS and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
PubChem CID55032374
Molecular FormulaC15H16FNOS
Molecular Weight277.36 g/mol
Exact Mass277.09
IUPAC Name2-(3-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCC1(C)Cc2nc(-c3cccc(F)c3)sc2C(O)C1
InChIInChI=1S/C15H16FNOS/c1-15(2)7-11-13(12(18)8-15)19-14(17-11)9-4-3-5-10(16)6-9/h3-6,12,18H,7-8H2,1-2H3
InChIKeyGQXBURJHYICKSV-UHFFFAOYSA-N
XLogP3.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62090425
2-(3,4-dichlorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 81492702
2-(5-chloro-2-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62494069
5,5-dimethyl-2-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 65197775
2-[(2,4-difluorophenyl)methyl]-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 64558717
2-(1-benzofuran-2-yl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 63090614
5,5-dimethyl-2-pyrimidin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 63987935
5,5-dimethyl-2-phenyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62091138
5,5-dimethyl-2-(3-nitrophenyl)-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62089380
2-(4-fluorophenyl)-N,5,5-trimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62089745
5,5-dimethyl-2-[(3-methylphenyl)methyl]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62090802
5,5-dimethyl-2-[(3-methylphenyl)sulfanylmethyl]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 66088181

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(3-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (CID 55032374) is 2-(3-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(3-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(3-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is CC1(C)Cc2nc(-c3cccc(F)c3)sc2C(O)C1.
What is the InChIKey of 2-(3-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The InChIKey is GQXBURJHYICKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS/c1-15(2)7-11-13(12(18)8-15)19-14(17-11)9-4-3-5-10(16)6-9/h3-6,12,18H,7-8H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
2-(3-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol has a molecular weight of 277.36 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is sourced from PubChem (CID 55032374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).