(1R,3R)-3-[5-[3-(5-chloropyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-1-cyclopropylimino-3,6,6-trimethyl-1-oxo-2H-1,4-thiazin-5-amine

C23H24ClFN6O2S — CID 155155910

IUPAC(1R,3R)-3-[5-[3-(5-chloropyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-1-cyclopropylimino-3,6,6-trimethyl-1-oxo-2H-1,4-thiazin-5-amine
SMILESCC1(C)C(N)=N[C@](C)(c2cc(-c3cc(-c4cnc(Cl)cn4)no3)ccc2F)C[S@]1(=O)=NC1CC1
InChIInChI=1S/C23H24ClFN6O2S/c1-22(2)21(26)29-23(3,12-34(22,32)31-14-5-6-14)15-8-13(4-7-16(15)25)19-9-17(30-33-19)18-10-28-20(24)11-27-18/h4,7-11,14H,5-6,12H2,1-3H3,(H2,26,29)/t23-,34+/m0/s1
InChIKeyOGHNZRRMPGDQFX-OHWKKVTOSA-N
MW503.00 g/mol
LogP4.59
Rot. Bonds4

About (1R,3R)-3-[5-[3-(5-chloropyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-1-cyclopropylimino-3,6,6-trimethyl-1-oxo-2H-1,4-thiazin-5-amine

(1R,3R)-3-[5-[3-(5-chloropyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-1-cyclopropylimino-3,6,6-trimethyl-1-oxo-2H-1,4-thiazin-5-amine (PubChem CID 155155910) has the molecular formula C23H24ClFN6O2S and a molecular weight of 503.00 g/mol. Its IUPAC name is (1R,3R)-3-[5-[3-(5-chloropyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-1-cyclopropylimino-3,6,6-trimethyl-1-oxo-2H-1,4-thiazin-5-amine.

Molecular Properties

Compound Name(1R,3R)-3-[5-[3-(5-chloropyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-1-cyclopropylimino-3,6,6-trimethyl-1-oxo-2H-1,4-thiazin-5-amine
PubChem CID155155910
Molecular FormulaC23H24ClFN6O2S
Molecular Weight503.00 g/mol
Exact Mass502.14
IUPAC Name(1R,3R)-3-[5-[3-(5-chloropyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-1-cyclopropylimino-3,6,6-trimethyl-1-oxo-2H-1,4-thiazin-5-amine
SMILESCC1(C)C(N)=N[C@](C)(c2cc(-c3cc(-c4cnc(Cl)cn4)no3)ccc2F)C[S@]1(=O)=NC1CC1
InChIInChI=1S/C23H24ClFN6O2S/c1-22(2)21(26)29-23(3,12-34(22,32)31-14-5-6-14)15-8-13(4-7-16(15)25)19-9-17(30-33-19)18-10-28-20(24)11-27-18/h4,7-11,14H,5-6,12H2,1-3H3,(H2,26,29)/t23-,34+/m0/s1
InChIKeyOGHNZRRMPGDQFX-OHWKKVTOSA-N
XLogP4.59
TPSA119.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.00
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (1R,3R)-3-[5-[3-(5-chloropyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-1-cyclopropylimino-3,6,6-trimethyl-1-oxo-2H-1,4-thiazin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3R)-3-[5-[3-(5-chloropyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-1-cyclopropylimino-3,6,6-trimethyl-1-oxo-2H-1,4-thiazin-5-amine?
The IUPAC name of (1R,3R)-3-[5-[3-(5-chloropyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-1-cyclopropylimino-3,6,6-trimethyl-1-oxo-2H-1,4-thiazin-5-amine (CID 155155910) is (1R,3R)-3-[5-[3-(5-chloropyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-1-cyclopropylimino-3,6,6-trimethyl-1-oxo-2H-1,4-thiazin-5-amine.
What is the SMILES notation for (1R,3R)-3-[5-[3-(5-chloropyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-1-cyclopropylimino-3,6,6-trimethyl-1-oxo-2H-1,4-thiazin-5-amine?
The canonical SMILES for (1R,3R)-3-[5-[3-(5-chloropyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-1-cyclopropylimino-3,6,6-trimethyl-1-oxo-2H-1,4-thiazin-5-amine is CC1(C)C(N)=N[C@](C)(c2cc(-c3cc(-c4cnc(Cl)cn4)no3)ccc2F)C[S@]1(=O)=NC1CC1.
What is the InChIKey of (1R,3R)-3-[5-[3-(5-chloropyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-1-cyclopropylimino-3,6,6-trimethyl-1-oxo-2H-1,4-thiazin-5-amine?
The InChIKey is OGHNZRRMPGDQFX-OHWKKVTOSA-N. The full InChI is InChI=1S/C23H24ClFN6O2S/c1-22(2)21(26)29-23(3,12-34(22,32)31-14-5-6-14)15-8-13(4-7-16(15)25)19-9-17(30-33-19)18-10-28-20(24)11-27-18/h4,7-11,14H,5-6,12H2,1-3H3,(H2,26,29)/t23-,34+/m0/s1.
What are the key properties of (1R,3R)-3-[5-[3-(5-chloropyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-1-cyclopropylimino-3,6,6-trimethyl-1-oxo-2H-1,4-thiazin-5-amine?
(1R,3R)-3-[5-[3-(5-chloropyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-1-cyclopropylimino-3,6,6-trimethyl-1-oxo-2H-1,4-thiazin-5-amine has a molecular weight of 503.00 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-3-[5-[3-(5-chloropyrazin-2-yl)-1,2-oxazol-5-yl]-2-fluorophenyl]-1-cyclopropylimino-3,6,6-trimethyl-1-oxo-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 155155910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).