(3R)-3-[5-[(Z)-2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

C23H26F2N4O3S — CID 135125448

IUPAC(3R)-3-[5-[(Z)-2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
SMILESCC1(C)C(N)=N[C@](C)(c2cc(/C=C(\F)c3cnc(OCC4CC4)cn3)ccc2F)CS1(=O)=O
InChIInChI=1S/C23H26F2N4O3S/c1-22(2)21(26)29-23(3,13-33(22,30)31)16-8-15(6-7-17(16)24)9-18(25)19-10-28-20(11-27-19)32-12-14-4-5-14/h6-11,14H,4-5,12-13H2,1-3H3,(H2,26,29)/b18-9-/t23-/m0/s1
InChIKeyWUKZYTGLWVNUQN-UOQNSFNTSA-N
MW476.55 g/mol
LogP3.65
Rot. Bonds6

About (3R)-3-[5-[(Z)-2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

(3R)-3-[5-[(Z)-2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine (PubChem CID 135125448) has the molecular formula C23H26F2N4O3S and a molecular weight of 476.55 g/mol. Its IUPAC name is (3R)-3-[5-[(Z)-2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine.

Molecular Properties

Compound Name(3R)-3-[5-[(Z)-2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
PubChem CID135125448
Molecular FormulaC23H26F2N4O3S
Molecular Weight476.55 g/mol
Exact Mass476.17
IUPAC Name(3R)-3-[5-[(Z)-2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
SMILESCC1(C)C(N)=N[C@](C)(c2cc(/C=C(\F)c3cnc(OCC4CC4)cn3)ccc2F)CS1(=O)=O
InChIInChI=1S/C23H26F2N4O3S/c1-22(2)21(26)29-23(3,13-33(22,30)31)16-8-15(6-7-17(16)24)9-18(25)19-10-28-20(11-27-19)32-12-14-4-5-14/h6-11,14H,4-5,12-13H2,1-3H3,(H2,26,29)/b18-9-/t23-/m0/s1
InChIKeyWUKZYTGLWVNUQN-UOQNSFNTSA-N
XLogP3.65
TPSA107.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-3-[5-[(Z)-2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-[(Z)-2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The IUPAC name of (3R)-3-[5-[(Z)-2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine (CID 135125448) is (3R)-3-[5-[(Z)-2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine.
What is the SMILES notation for (3R)-3-[5-[(Z)-2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The canonical SMILES for (3R)-3-[5-[(Z)-2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine is CC1(C)C(N)=N[C@](C)(c2cc(/C=C(\F)c3cnc(OCC4CC4)cn3)ccc2F)CS1(=O)=O.
What is the InChIKey of (3R)-3-[5-[(Z)-2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The InChIKey is WUKZYTGLWVNUQN-UOQNSFNTSA-N. The full InChI is InChI=1S/C23H26F2N4O3S/c1-22(2)21(26)29-23(3,13-33(22,30)31)16-8-15(6-7-17(16)24)9-18(25)19-10-28-20(11-27-19)32-12-14-4-5-14/h6-11,14H,4-5,12-13H2,1-3H3,(H2,26,29)/b18-9-/t23-/m0/s1.
What are the key properties of (3R)-3-[5-[(Z)-2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
(3R)-3-[5-[(Z)-2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine has a molecular weight of 476.55 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-[(Z)-2-[5-(cyclopropylmethoxy)pyrazin-2-yl]-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 135125448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).