2-(4-fluoro-3-methylphenyl)-2,3-dihydro-1,3-benzothiazol-6-ol

C14H12FNOS — CID 143479577

IUPAC2-(4-fluoro-3-methylphenyl)-2,3-dihydro-1,3-benzothiazol-6-ol
SMILESCc1cc(C2Nc3ccc(O)cc3S2)ccc1F
InChIInChI=1S/C14H12FNOS/c1-8-6-9(2-4-11(8)15)14-16-12-5-3-10(17)7-13(12)18-14/h2-7,14,16-17H,1H3
InChIKeyZTPNAJONAWJXJS-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.06
Rot. Bonds1

About 2-(4-fluoro-3-methylphenyl)-2,3-dihydro-1,3-benzothiazol-6-ol

2-(4-fluoro-3-methylphenyl)-2,3-dihydro-1,3-benzothiazol-6-ol (PubChem CID 143479577) has the molecular formula C14H12FNOS and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-2,3-dihydro-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-2,3-dihydro-1,3-benzothiazol-6-ol
PubChem CID143479577
Molecular FormulaC14H12FNOS
Molecular Weight261.32 g/mol
Exact Mass261.06
IUPAC Name2-(4-fluoro-3-methylphenyl)-2,3-dihydro-1,3-benzothiazol-6-ol
SMILESCc1cc(C2Nc3ccc(O)cc3S2)ccc1F
InChIInChI=1S/C14H12FNOS/c1-8-6-9(2-4-11(8)15)14-16-12-5-3-10(17)7-13(12)18-14/h2-7,14,16-17H,1H3
InChIKeyZTPNAJONAWJXJS-UHFFFAOYSA-N
XLogP4.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-2,3-dihydro-1,3-benzothiazol-6-ol?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-2,3-dihydro-1,3-benzothiazol-6-ol (CID 143479577) is 2-(4-fluoro-3-methylphenyl)-2,3-dihydro-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-2,3-dihydro-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-2,3-dihydro-1,3-benzothiazol-6-ol is Cc1cc(C2Nc3ccc(O)cc3S2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-2,3-dihydro-1,3-benzothiazol-6-ol?
The InChIKey is ZTPNAJONAWJXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNOS/c1-8-6-9(2-4-11(8)15)14-16-12-5-3-10(17)7-13(12)18-14/h2-7,14,16-17H,1H3.
What are the key properties of 2-(4-fluoro-3-methylphenyl)-2,3-dihydro-1,3-benzothiazol-6-ol?
2-(4-fluoro-3-methylphenyl)-2,3-dihydro-1,3-benzothiazol-6-ol has a molecular weight of 261.32 g/mol, XLogP of 4.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-2,3-dihydro-1,3-benzothiazol-6-ol is sourced from PubChem (CID 143479577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).