(7R,10aR)-1-fluoro-5,5-dioxo-7-phenyl-10a-(trifluoromethyl)-8,10-dihydro-7H-pyrido[1,2-b][1,2]benzothiazol-9-one

C18H13F4NO3S — CID 162546077

IUPAC(7R,10aR)-1-fluoro-5,5-dioxo-7-phenyl-10a-(trifluoromethyl)-8,10-dihydro-7H-pyrido[1,2-b][1,2]benzothiazol-9-one
SMILESO=C1C[C@H](c2ccccc2)N2[C@](C(F)(F)F)(C1)c1c(F)cccc1S2(=O)=O
InChIInChI=1S/C18H13F4NO3S/c19-13-7-4-8-15-16(13)17(18(20,21)22)10-12(24)9-14(23(17)27(15,25)26)11-5-2-1-3-6-11/h1-8,14H,9-10H2/t14-,17-/m1/s1
InChIKeyLDZVZOCIBKSPDO-RHSMWYFYSA-N
MW399.37 g/mol
LogP3.69
Rot. Bonds1

About (7R,10aR)-1-fluoro-5,5-dioxo-7-phenyl-10a-(trifluoromethyl)-8,10-dihydro-7H-pyrido[1,2-b][1,2]benzothiazol-9-one

(7R,10aR)-1-fluoro-5,5-dioxo-7-phenyl-10a-(trifluoromethyl)-8,10-dihydro-7H-pyrido[1,2-b][1,2]benzothiazol-9-one (PubChem CID 162546077) has the molecular formula C18H13F4NO3S and a molecular weight of 399.37 g/mol. Its IUPAC name is (7R,10aR)-1-fluoro-5,5-dioxo-7-phenyl-10a-(trifluoromethyl)-8,10-dihydro-7H-pyrido[1,2-b][1,2]benzothiazol-9-one.

Molecular Properties

Compound Name(7R,10aR)-1-fluoro-5,5-dioxo-7-phenyl-10a-(trifluoromethyl)-8,10-dihydro-7H-pyrido[1,2-b][1,2]benzothiazol-9-one
PubChem CID162546077
Molecular FormulaC18H13F4NO3S
Molecular Weight399.37 g/mol
Exact Mass399.06
IUPAC Name(7R,10aR)-1-fluoro-5,5-dioxo-7-phenyl-10a-(trifluoromethyl)-8,10-dihydro-7H-pyrido[1,2-b][1,2]benzothiazol-9-one
SMILESO=C1C[C@H](c2ccccc2)N2[C@](C(F)(F)F)(C1)c1c(F)cccc1S2(=O)=O
InChIInChI=1S/C18H13F4NO3S/c19-13-7-4-8-15-16(13)17(18(20,21)22)10-12(24)9-14(23(17)27(15,25)26)11-5-2-1-3-6-11/h1-8,14H,9-10H2/t14-,17-/m1/s1
InChIKeyLDZVZOCIBKSPDO-RHSMWYFYSA-N
XLogP3.69
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (7R,10aR)-1-fluoro-5,5-dioxo-7-phenyl-10a-(trifluoromethyl)-8,10-dihydro-7H-pyrido[1,2-b][1,2]benzothiazol-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7R,10aR)-1-fluoro-5,5-dioxo-7-phenyl-10a-(trifluoromethyl)-8,10-dihydro-7H-pyrido[1,2-b][1,2]benzothiazol-9-one?
The IUPAC name of (7R,10aR)-1-fluoro-5,5-dioxo-7-phenyl-10a-(trifluoromethyl)-8,10-dihydro-7H-pyrido[1,2-b][1,2]benzothiazol-9-one (CID 162546077) is (7R,10aR)-1-fluoro-5,5-dioxo-7-phenyl-10a-(trifluoromethyl)-8,10-dihydro-7H-pyrido[1,2-b][1,2]benzothiazol-9-one.
What is the SMILES notation for (7R,10aR)-1-fluoro-5,5-dioxo-7-phenyl-10a-(trifluoromethyl)-8,10-dihydro-7H-pyrido[1,2-b][1,2]benzothiazol-9-one?
The canonical SMILES for (7R,10aR)-1-fluoro-5,5-dioxo-7-phenyl-10a-(trifluoromethyl)-8,10-dihydro-7H-pyrido[1,2-b][1,2]benzothiazol-9-one is O=C1C[C@H](c2ccccc2)N2[C@](C(F)(F)F)(C1)c1c(F)cccc1S2(=O)=O.
What is the InChIKey of (7R,10aR)-1-fluoro-5,5-dioxo-7-phenyl-10a-(trifluoromethyl)-8,10-dihydro-7H-pyrido[1,2-b][1,2]benzothiazol-9-one?
The InChIKey is LDZVZOCIBKSPDO-RHSMWYFYSA-N. The full InChI is InChI=1S/C18H13F4NO3S/c19-13-7-4-8-15-16(13)17(18(20,21)22)10-12(24)9-14(23(17)27(15,25)26)11-5-2-1-3-6-11/h1-8,14H,9-10H2/t14-,17-/m1/s1.
What are the key properties of (7R,10aR)-1-fluoro-5,5-dioxo-7-phenyl-10a-(trifluoromethyl)-8,10-dihydro-7H-pyrido[1,2-b][1,2]benzothiazol-9-one?
(7R,10aR)-1-fluoro-5,5-dioxo-7-phenyl-10a-(trifluoromethyl)-8,10-dihydro-7H-pyrido[1,2-b][1,2]benzothiazol-9-one has a molecular weight of 399.37 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,10aR)-1-fluoro-5,5-dioxo-7-phenyl-10a-(trifluoromethyl)-8,10-dihydro-7H-pyrido[1,2-b][1,2]benzothiazol-9-one is sourced from PubChem (CID 162546077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).