5-[5-[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-2-fluoroethenyl]-2-fluorophenyl]-6,6-difluoro-2,2,5-trimethyl-1,1-dioxo-1,4-thiazin-3-amine

C22H21F4N3O4S — CID 135125167

IUPAC5-[5-[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-2-fluoroethenyl]-2-fluorophenyl]-6,6-difluoro-2,2,5-trimethyl-1,1-dioxo-1,4-thiazin-3-amine
SMILESCC1(c2cc(C=C(F)c3cc4c(cn3)OCCO4)ccc2F)N=C(N)C(C)(C)S(=O)(=O)C1(F)F
InChIInChI=1S/C22H21F4N3O4S/c1-20(2)19(27)29-21(3,22(25,26)34(20,30)31)13-8-12(4-5-14(13)23)9-15(24)16-10-17-18(11-28-16)33-7-6-32-17/h4-5,8-11H,6-7H2,1-3H3,(H2,27,29)
InChIKeyISINGNQBVRWZCL-UHFFFAOYSA-N
MW499.49 g/mol
LogP3.83
Rot. Bonds3

About 5-[5-[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-2-fluoroethenyl]-2-fluorophenyl]-6,6-difluoro-2,2,5-trimethyl-1,1-dioxo-1,4-thiazin-3-amine

5-[5-[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-2-fluoroethenyl]-2-fluorophenyl]-6,6-difluoro-2,2,5-trimethyl-1,1-dioxo-1,4-thiazin-3-amine (PubChem CID 135125167) has the molecular formula C22H21F4N3O4S and a molecular weight of 499.49 g/mol. Its IUPAC name is 5-[5-[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-2-fluoroethenyl]-2-fluorophenyl]-6,6-difluoro-2,2,5-trimethyl-1,1-dioxo-1,4-thiazin-3-amine.

Molecular Properties

Compound Name5-[5-[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-2-fluoroethenyl]-2-fluorophenyl]-6,6-difluoro-2,2,5-trimethyl-1,1-dioxo-1,4-thiazin-3-amine
PubChem CID135125167
Molecular FormulaC22H21F4N3O4S
Molecular Weight499.49 g/mol
Exact Mass499.12
IUPAC Name5-[5-[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-2-fluoroethenyl]-2-fluorophenyl]-6,6-difluoro-2,2,5-trimethyl-1,1-dioxo-1,4-thiazin-3-amine
SMILESCC1(c2cc(C=C(F)c3cc4c(cn3)OCCO4)ccc2F)N=C(N)C(C)(C)S(=O)(=O)C1(F)F
InChIInChI=1S/C22H21F4N3O4S/c1-20(2)19(27)29-21(3,22(25,26)34(20,30)31)13-8-12(4-5-14(13)23)9-15(24)16-10-17-18(11-28-16)33-7-6-32-17/h4-5,8-11H,6-7H2,1-3H3,(H2,27,29)
InChIKeyISINGNQBVRWZCL-UHFFFAOYSA-N
XLogP3.83
TPSA103.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[5-[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-2-fluoroethenyl]-2-fluorophenyl]-6,6-difluoro-2,2,5-trimethyl-1,1-dioxo-1,4-thiazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-2-fluoroethenyl]-2-fluorophenyl]-6,6-difluoro-2,2,5-trimethyl-1,1-dioxo-1,4-thiazin-3-amine?
The IUPAC name of 5-[5-[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-2-fluoroethenyl]-2-fluorophenyl]-6,6-difluoro-2,2,5-trimethyl-1,1-dioxo-1,4-thiazin-3-amine (CID 135125167) is 5-[5-[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-2-fluoroethenyl]-2-fluorophenyl]-6,6-difluoro-2,2,5-trimethyl-1,1-dioxo-1,4-thiazin-3-amine.
What is the SMILES notation for 5-[5-[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-2-fluoroethenyl]-2-fluorophenyl]-6,6-difluoro-2,2,5-trimethyl-1,1-dioxo-1,4-thiazin-3-amine?
The canonical SMILES for 5-[5-[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-2-fluoroethenyl]-2-fluorophenyl]-6,6-difluoro-2,2,5-trimethyl-1,1-dioxo-1,4-thiazin-3-amine is CC1(c2cc(C=C(F)c3cc4c(cn3)OCCO4)ccc2F)N=C(N)C(C)(C)S(=O)(=O)C1(F)F.
What is the InChIKey of 5-[5-[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-2-fluoroethenyl]-2-fluorophenyl]-6,6-difluoro-2,2,5-trimethyl-1,1-dioxo-1,4-thiazin-3-amine?
The InChIKey is ISINGNQBVRWZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F4N3O4S/c1-20(2)19(27)29-21(3,22(25,26)34(20,30)31)13-8-12(4-5-14(13)23)9-15(24)16-10-17-18(11-28-16)33-7-6-32-17/h4-5,8-11H,6-7H2,1-3H3,(H2,27,29).
What are the key properties of 5-[5-[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-2-fluoroethenyl]-2-fluorophenyl]-6,6-difluoro-2,2,5-trimethyl-1,1-dioxo-1,4-thiazin-3-amine?
5-[5-[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-2-fluoroethenyl]-2-fluorophenyl]-6,6-difluoro-2,2,5-trimethyl-1,1-dioxo-1,4-thiazin-3-amine has a molecular weight of 499.49 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-2-fluoroethenyl]-2-fluorophenyl]-6,6-difluoro-2,2,5-trimethyl-1,1-dioxo-1,4-thiazin-3-amine is sourced from PubChem (CID 135125167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).