(4S,6R)-4-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]ethenyl]phenyl]-6-(methoxymethyl)-4,6-dimethyl-5H-1,3-thiazin-2-amine

C23H25F5N4O2S — CID 135303660

IUPAC(4S,6R)-4-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]ethenyl]phenyl]-6-(methoxymethyl)-4,6-dimethyl-5H-1,3-thiazin-2-amine
SMILESCOC[C@@]1(C)C[C@@](C)(c2cc(/C=C(\F)c3cnc(OC(C)C(F)(F)F)cn3)ccc2F)N=C(N)S1
InChIInChI=1S/C23H25F5N4O2S/c1-13(23(26,27)28)34-19-10-30-18(9-31-19)17(25)8-14-5-6-16(24)15(7-14)22(3)11-21(2,12-33-4)35-20(29)32-22/h5-10,13H,11-12H2,1-4H3,(H2,29,32)/b17-8-/t13?,21-,22+/m1/s1
InChIKeyIHTKTHGIHMCPOT-MQMOGKDDSA-N
MW516.54 g/mol
LogP5.48
Rot. Bonds7

About (4S,6R)-4-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]ethenyl]phenyl]-6-(methoxymethyl)-4,6-dimethyl-5H-1,3-thiazin-2-amine

(4S,6R)-4-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]ethenyl]phenyl]-6-(methoxymethyl)-4,6-dimethyl-5H-1,3-thiazin-2-amine (PubChem CID 135303660) has the molecular formula C23H25F5N4O2S and a molecular weight of 516.54 g/mol. Its IUPAC name is (4S,6R)-4-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]ethenyl]phenyl]-6-(methoxymethyl)-4,6-dimethyl-5H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(4S,6R)-4-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]ethenyl]phenyl]-6-(methoxymethyl)-4,6-dimethyl-5H-1,3-thiazin-2-amine
PubChem CID135303660
Molecular FormulaC23H25F5N4O2S
Molecular Weight516.54 g/mol
Exact Mass516.16
IUPAC Name(4S,6R)-4-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]ethenyl]phenyl]-6-(methoxymethyl)-4,6-dimethyl-5H-1,3-thiazin-2-amine
SMILESCOC[C@@]1(C)C[C@@](C)(c2cc(/C=C(\F)c3cnc(OC(C)C(F)(F)F)cn3)ccc2F)N=C(N)S1
InChIInChI=1S/C23H25F5N4O2S/c1-13(23(26,27)28)34-19-10-30-18(9-31-19)17(25)8-14-5-6-16(24)15(7-14)22(3)11-21(2,12-33-4)35-20(29)32-22/h5-10,13H,11-12H2,1-4H3,(H2,29,32)/b17-8-/t13?,21-,22+/m1/s1
InChIKeyIHTKTHGIHMCPOT-MQMOGKDDSA-N
XLogP5.48
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.54
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4S,6R)-4-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]ethenyl]phenyl]-6-(methoxymethyl)-4,6-dimethyl-5H-1,3-thiazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[(4S,6R)-2-amino-6-(methoxymethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4-fluorophenyl]-5-[(2R)-but-3-en-2-yl]oxypyrazine-2-carboxamide
CID 130435202
(5R)-5-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[(2S)-1-methoxypropan-2-yl]oxypyrazin-2-yl]ethenyl]phenyl]-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine
CID 142379433
(3R)-3-[2-fluoro-5-[(Z)-2-fluoro-2-(5-hex-4-yn-3-yloxypyrazin-2-yl)ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 135125008
N-[3-[(4S,6R)-2-amino-6-(methoxymethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide
CID 126488639
(2S,5R)-2-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[(2S)-1-methoxypropan-2-yl]oxypyrazin-2-yl]ethenyl]phenyl]-5-(fluoromethyl)-2-methyl-5-methylsulfonyl-3,4-dihydropyridin-6-amine
CID 155003835
(3R)-3-[2-fluoro-5-[(Z)-2-fluoro-2-(5-methoxypyrazin-2-yl)ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 135126301
N-[3-[(4S,6R)-2-amino-6-(methoxymethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 126488561
(3R)-3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(1,3-oxazol-2-ylmethoxy)pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 135125803
(2S,5R)-2-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-methoxyethoxy)pyrazin-2-yl]ethenyl]phenyl]-5-(fluoromethyl)-2-methyl-5-methylsulfonyl-3,4-dihydropyridin-6-amine
CID 155003805
4-[5-[2-[3-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-1-fluoroethenyl]pyrazin-2-yl]oxybut-2-yn-1-ol
CID 135125373
(5R)-5-[5-[(Z)-2-(5-but-2-ynoxypyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 135126298
(3R)-3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 135126339

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-4-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]ethenyl]phenyl]-6-(methoxymethyl)-4,6-dimethyl-5H-1,3-thiazin-2-amine?
The IUPAC name of (4S,6R)-4-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]ethenyl]phenyl]-6-(methoxymethyl)-4,6-dimethyl-5H-1,3-thiazin-2-amine (CID 135303660) is (4S,6R)-4-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]ethenyl]phenyl]-6-(methoxymethyl)-4,6-dimethyl-5H-1,3-thiazin-2-amine.
What is the SMILES notation for (4S,6R)-4-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]ethenyl]phenyl]-6-(methoxymethyl)-4,6-dimethyl-5H-1,3-thiazin-2-amine?
The canonical SMILES for (4S,6R)-4-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]ethenyl]phenyl]-6-(methoxymethyl)-4,6-dimethyl-5H-1,3-thiazin-2-amine is COC[C@@]1(C)C[C@@](C)(c2cc(/C=C(\F)c3cnc(OC(C)C(F)(F)F)cn3)ccc2F)N=C(N)S1.
What is the InChIKey of (4S,6R)-4-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]ethenyl]phenyl]-6-(methoxymethyl)-4,6-dimethyl-5H-1,3-thiazin-2-amine?
The InChIKey is IHTKTHGIHMCPOT-MQMOGKDDSA-N. The full InChI is InChI=1S/C23H25F5N4O2S/c1-13(23(26,27)28)34-19-10-30-18(9-31-19)17(25)8-14-5-6-16(24)15(7-14)22(3)11-21(2,12-33-4)35-20(29)32-22/h5-10,13H,11-12H2,1-4H3,(H2,29,32)/b17-8-/t13?,21-,22+/m1/s1.
What are the key properties of (4S,6R)-4-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]ethenyl]phenyl]-6-(methoxymethyl)-4,6-dimethyl-5H-1,3-thiazin-2-amine?
(4S,6R)-4-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]ethenyl]phenyl]-6-(methoxymethyl)-4,6-dimethyl-5H-1,3-thiazin-2-amine has a molecular weight of 516.54 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-4-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]ethenyl]phenyl]-6-(methoxymethyl)-4,6-dimethyl-5H-1,3-thiazin-2-amine is sourced from PubChem (CID 135303660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).