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

C15H15ClFNOS — CID 63081619

IUPAC2-(4-chloro-2-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCC1(C)Cc2nc(-c3ccc(Cl)cc3F)sc2C(O)C1
InChIInChI=1S/C15H15ClFNOS/c1-15(2)6-11-13(12(19)7-15)20-14(18-11)9-4-3-8(16)5-10(9)17/h3-5,12,19H,6-7H2,1-2H3
InChIKeyURNNOWBPFYBMPY-UHFFFAOYSA-N
MW311.81 g/mol
LogP4.61
Rot. Bonds1

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

2-(4-chloro-2-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (PubChem CID 63081619) has the molecular formula C15H15ClFNOS and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
PubChem CID63081619
Molecular FormulaC15H15ClFNOS
Molecular Weight311.81 g/mol
Exact Mass311.05
IUPAC Name2-(4-chloro-2-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCC1(C)Cc2nc(-c3ccc(Cl)cc3F)sc2C(O)C1
InChIInChI=1S/C15H15ClFNOS/c1-15(2)6-11-13(12(19)7-15)20-14(18-11)9-4-3-8(16)5-10(9)17/h3-5,12,19H,6-7H2,1-2H3
InChIKeyURNNOWBPFYBMPY-UHFFFAOYSA-N
XLogP4.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-(5-chloro-2-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62494069
2-(5-chloro-2-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62493383
2-(3,4-dichlorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 81492702
2-(3-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 55032374
2-(2,4-difluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62795813
2-(2-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62944736
5,5-dimethyl-2-pyrimidin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 63987935
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-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 65197775
2-(dimethylamino)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62754872
2-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 107931946

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (CID 63081619) is 2-(4-chloro-2-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is CC1(C)Cc2nc(-c3ccc(Cl)cc3F)sc2C(O)C1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The InChIKey is URNNOWBPFYBMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNOS/c1-15(2)6-11-13(12(19)7-15)20-14(18-11)9-4-3-8(16)5-10(9)17/h3-5,12,19H,6-7H2,1-2H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
2-(4-chloro-2-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol has a molecular weight of 311.81 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is sourced from PubChem (CID 63081619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).