2-(2,4-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one

C15H13F2NOS — CID 62794949

IUPAC2-(2,4-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCC1(C)CC(=O)c2sc(-c3ccc(F)cc3F)nc2C1
InChIInChI=1S/C15H13F2NOS/c1-15(2)6-11-13(12(19)7-15)20-14(18-11)9-4-3-8(16)5-10(9)17/h3-5H,6-7H2,1-2H3
InChIKeyIASQKNKEVYOYHT-UHFFFAOYSA-N
MW293.34 g/mol
LogP4.24
Rot. Bonds1

About 2-(2,4-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one

2-(2,4-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one (PubChem CID 62794949) has the molecular formula C15H13F2NOS and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
PubChem CID62794949
Molecular FormulaC15H13F2NOS
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name2-(2,4-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
SMILESCC1(C)CC(=O)c2sc(-c3ccc(F)cc3F)nc2C1
InChIInChI=1S/C15H13F2NOS/c1-15(2)6-11-13(12(19)7-15)20-14(18-11)9-4-3-8(16)5-10(9)17/h3-5H,6-7H2,1-2H3
InChIKeyIASQKNKEVYOYHT-UHFFFAOYSA-N
XLogP4.24
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-5-methylphenyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 107931853
2-(3-chloro-4-fluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 63088995
2-(2,5-dimethylthiophen-3-yl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 55032707
2-(2,3-dimethylphenyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 62091839
2-(2,3-dichlorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 63446963
2-(3,4-dichlorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 63447005
2-(2,4-difluorophenyl)-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
CID 62795813
5,5-dimethyl-2-thiophen-2-yl-4,6-dihydro-1,3-benzothiazol-7-one
CID 55032657
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 7110038
5,5-dimethyl-2-(3-methylfuran-2-yl)-4,6-dihydro-1,3-benzothiazol-7-one
CID 104806294
2-(3-fluoro-N-methylanilino)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 62749785
2-amino-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 587874

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The IUPAC name of 2-(2,4-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one (CID 62794949) is 2-(2,4-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-(2,4-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The canonical SMILES for 2-(2,4-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one is CC1(C)CC(=O)c2sc(-c3ccc(F)cc3F)nc2C1.
What is the InChIKey of 2-(2,4-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
The InChIKey is IASQKNKEVYOYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NOS/c1-15(2)6-11-13(12(19)7-15)20-14(18-11)9-4-3-8(16)5-10(9)17/h3-5H,6-7H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one?
2-(2,4-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one has a molecular weight of 293.34 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one is sourced from PubChem (CID 62794949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).