N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-[methyl(methylsulfinyl)amino]pyrazine-2-carboxamide

C18H19FN6O2S2 — CID 143909777

IUPACN-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-[methyl(methylsulfinyl)amino]pyrazine-2-carboxamide
SMILESCN(c1cnc(C(=O)Nc2ccc(F)c([C@]3(C)C=CSC(N)=N3)c2)cn1)S(C)=O
InChIInChI=1S/C18H19FN6O2S2/c1-18(6-7-28-17(20)24-18)12-8-11(4-5-13(12)19)23-16(26)14-9-22-15(10-21-14)25(2)29(3)27/h4-10H,1-3H3,(H2,20,24)(H,23,26)/t18-,29?/m0/s1
InChIKeyGENJSBQJPGVKJU-STFFIMJZSA-N
MW434.52 g/mol
LogP2.39
Rot. Bonds5

About N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-[methyl(methylsulfinyl)amino]pyrazine-2-carboxamide

N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-[methyl(methylsulfinyl)amino]pyrazine-2-carboxamide (PubChem CID 143909777) has the molecular formula C18H19FN6O2S2 and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-[methyl(methylsulfinyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-[methyl(methylsulfinyl)amino]pyrazine-2-carboxamide
PubChem CID143909777
Molecular FormulaC18H19FN6O2S2
Molecular Weight434.52 g/mol
Exact Mass434.10
IUPAC NameN-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-[methyl(methylsulfinyl)amino]pyrazine-2-carboxamide
SMILESCN(c1cnc(C(=O)Nc2ccc(F)c([C@]3(C)C=CSC(N)=N3)c2)cn1)S(C)=O
InChIInChI=1S/C18H19FN6O2S2/c1-18(6-7-28-17(20)24-18)12-8-11(4-5-13(12)19)23-16(26)14-9-22-15(10-21-14)25(2)29(3)27/h4-10H,1-3H3,(H2,20,24)(H,23,26)/t18-,29?/m0/s1
InChIKeyGENJSBQJPGVKJU-STFFIMJZSA-N
XLogP2.39
TPSA113.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-[methyl(methylsulfonyl)amino]pyrazine-2-carboxamide
CID 53242163
N-[3-[(4S)-2-amino-6-(1-hydroxy-1-iodoethyl)-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 70915897
2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-cyclopenta-1,3-dien-1-yl-2-pyridinyl)ethanone
CID 58377057
N-[3-[(4S)-2-amino-4-methyl-6,7-dihydro-5H-cyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 53250004
N-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 71502690
N-[3-[(2S)-6-amino-2,5,5-trimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 140946078
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 59374722
(1S,5S,6S)-3-amino-5-[2-fluoro-5-[[5-(2,2,2-trifluoroethoxy)pyrazine-2-carbonyl]amino]phenyl]-N-methoxy-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide
CID 118866337
(1S,5S)-3-amino-5-[2-fluoro-5-[[5-(2,2,2-trifluoroethoxy)pyrazine-2-carbonyl]amino]phenyl]-N-methoxy-N,5-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide
CID 118885032
(1S,5S,6S)-3-amino-5-[5-[(5-chloropyridine-2-carbonyl)amino]-2-fluorophenyl]-5-(fluoromethyl)-N,N-dimethyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxamide
CID 118866335
N-[3-(2-amino-4-methyl-9-oxa-1-thia-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 78166631
6-[(Z)-2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-fluoroethenyl]pyridine-3-carbonitrile
CID 135126429

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-[methyl(methylsulfinyl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-[methyl(methylsulfinyl)amino]pyrazine-2-carboxamide (CID 143909777) is N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-[methyl(methylsulfinyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-[methyl(methylsulfinyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-[methyl(methylsulfinyl)amino]pyrazine-2-carboxamide is CN(c1cnc(C(=O)Nc2ccc(F)c([C@]3(C)C=CSC(N)=N3)c2)cn1)S(C)=O.
What is the InChIKey of N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-[methyl(methylsulfinyl)amino]pyrazine-2-carboxamide?
The InChIKey is GENJSBQJPGVKJU-STFFIMJZSA-N. The full InChI is InChI=1S/C18H19FN6O2S2/c1-18(6-7-28-17(20)24-18)12-8-11(4-5-13(12)19)23-16(26)14-9-22-15(10-21-14)25(2)29(3)27/h4-10H,1-3H3,(H2,20,24)(H,23,26)/t18-,29?/m0/s1.
What are the key properties of N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-[methyl(methylsulfinyl)amino]pyrazine-2-carboxamide?
N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-[methyl(methylsulfinyl)amino]pyrazine-2-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-[methyl(methylsulfinyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 143909777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).