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

C19H16F3NO3S — CID 162546075

IUPAC(7R,10aR)-2-methyl-5,5-dioxo-7-phenyl-10a-(trifluoromethyl)-8,10-dihydro-7H-pyrido[1,2-b][1,2]benzothiazol-9-one
SMILESCc1ccc2c(c1)[C@@]1(C(F)(F)F)CC(=O)C[C@H](c3ccccc3)N1S2(=O)=O
InChIInChI=1S/C19H16F3NO3S/c1-12-7-8-17-15(9-12)18(19(20,21)22)11-14(24)10-16(23(18)27(17,25)26)13-5-3-2-4-6-13/h2-9,16H,10-11H2,1H3/t16-,18-/m1/s1
InChIKeyRXUQUZVYIIVGNP-SJLPKXTDSA-N
MW395.40 g/mol
LogP3.86
Rot. Bonds1

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

(7R,10aR)-2-methyl-5,5-dioxo-7-phenyl-10a-(trifluoromethyl)-8,10-dihydro-7H-pyrido[1,2-b][1,2]benzothiazol-9-one (PubChem CID 162546075) has the molecular formula C19H16F3NO3S and a molecular weight of 395.40 g/mol. Its IUPAC name is (7R,10aR)-2-methyl-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)-2-methyl-5,5-dioxo-7-phenyl-10a-(trifluoromethyl)-8,10-dihydro-7H-pyrido[1,2-b][1,2]benzothiazol-9-one
PubChem CID162546075
Molecular FormulaC19H16F3NO3S
Molecular Weight395.40 g/mol
Exact Mass395.08
IUPAC Name(7R,10aR)-2-methyl-5,5-dioxo-7-phenyl-10a-(trifluoromethyl)-8,10-dihydro-7H-pyrido[1,2-b][1,2]benzothiazol-9-one
SMILESCc1ccc2c(c1)[C@@]1(C(F)(F)F)CC(=O)C[C@H](c3ccccc3)N1S2(=O)=O
InChIInChI=1S/C19H16F3NO3S/c1-12-7-8-17-15(9-12)18(19(20,21)22)11-14(24)10-16(23(18)27(17,25)26)13-5-3-2-4-6-13/h2-9,16H,10-11H2,1H3/t16-,18-/m1/s1
InChIKeyRXUQUZVYIIVGNP-SJLPKXTDSA-N
XLogP3.86
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of (7R,10aR)-2-methyl-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)-2-methyl-5,5-dioxo-7-phenyl-10a-(trifluoromethyl)-8,10-dihydro-7H-pyrido[1,2-b][1,2]benzothiazol-9-one (CID 162546075) is (7R,10aR)-2-methyl-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)-2-methyl-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)-2-methyl-5,5-dioxo-7-phenyl-10a-(trifluoromethyl)-8,10-dihydro-7H-pyrido[1,2-b][1,2]benzothiazol-9-one is Cc1ccc2c(c1)[C@@]1(C(F)(F)F)CC(=O)C[C@H](c3ccccc3)N1S2(=O)=O.
What is the InChIKey of (7R,10aR)-2-methyl-5,5-dioxo-7-phenyl-10a-(trifluoromethyl)-8,10-dihydro-7H-pyrido[1,2-b][1,2]benzothiazol-9-one?
The InChIKey is RXUQUZVYIIVGNP-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H16F3NO3S/c1-12-7-8-17-15(9-12)18(19(20,21)22)11-14(24)10-16(23(18)27(17,25)26)13-5-3-2-4-6-13/h2-9,16H,10-11H2,1H3/t16-,18-/m1/s1.
What are the key properties of (7R,10aR)-2-methyl-5,5-dioxo-7-phenyl-10a-(trifluoromethyl)-8,10-dihydro-7H-pyrido[1,2-b][1,2]benzothiazol-9-one?
(7R,10aR)-2-methyl-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 395.40 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,10aR)-2-methyl-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 162546075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).