2-[2-(ethylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide;molecular hydrogen

C20H24F3N5O3S2 — CID 155733994

IUPAC2-[2-(ethylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide;molecular hydrogen
SMILESCCS(=O)(=O)Nc1nc(C(C)(C)C(=O)Nc2ccc(-c3cncc(C(F)(F)F)n3)cc2)cs1.[H][H].[H][H]
InChIInChI=1S/C20H20F3N5O3S2.2H2/c1-4-33(30,31)28-18-27-16(11-32-18)19(2,3)17(29)25-13-7-5-12(6-8-13)14-9-24-10-15(26-14)20(21,22)23;;/h5-11H,4H2,1-3H3,(H,25,29)(H,27,28);2*1H
InChIKeyLONLJXGJLQSZGH-UHFFFAOYSA-N
MW503.57 g/mol
LogP4.79
Rot. Bonds7

About 2-[2-(ethylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide;molecular hydrogen

2-[2-(ethylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide;molecular hydrogen (PubChem CID 155733994) has the molecular formula C20H24F3N5O3S2 and a molecular weight of 503.57 g/mol. Its IUPAC name is 2-[2-(ethylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide;molecular hydrogen.

Molecular Properties

Compound Name2-[2-(ethylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide;molecular hydrogen
PubChem CID155733994
Molecular FormulaC20H24F3N5O3S2
Molecular Weight503.57 g/mol
Exact Mass503.13
IUPAC Name2-[2-(ethylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide;molecular hydrogen
SMILESCCS(=O)(=O)Nc1nc(C(C)(C)C(=O)Nc2ccc(-c3cncc(C(F)(F)F)n3)cc2)cs1.[H][H].[H][H]
InChIInChI=1S/C20H20F3N5O3S2.2H2/c1-4-33(30,31)28-18-27-16(11-32-18)19(2,3)17(29)25-13-7-5-12(6-8-13)14-9-24-10-15(26-14)20(21,22)23;;/h5-11H,4H2,1-3H3,(H,25,29)(H,27,28);2*1H
InChIKeyLONLJXGJLQSZGH-UHFFFAOYSA-N
XLogP4.79
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.57
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-[[2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanoyl]amino]phenyl]-N,N-dimethylpyrazine-2-carboxamide
CID 138673878
N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(2-methylpropylsulfanylamino)-1,3-thiazol-4-yl]propanamide
CID 138701240
N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide
CID 139503550
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-(6-propoxypyrazin-2-yl)phenyl]propanamide
CID 155733973
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propanamide
CID 138673738
N-[4-(6-cyanopyrazin-2-yl)phenyl]-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138701239
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[4-[6-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]butanamide
CID 138673764
N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]cyclopropyl]-4-[6-(trifluoromethyl)pyrazin-2-yl]benzamide
CID 151068837
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-methylpropanamide
CID 138673909
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]-2-methylpropanamide
CID 138673862
ethyl 2-oxo-2-[[4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazol-2-yl]amino]acetate
CID 13177563
N-[4-(3-cyanophenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138673714

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide;molecular hydrogen?
The IUPAC name of 2-[2-(ethylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide;molecular hydrogen (CID 155733994) is 2-[2-(ethylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide;molecular hydrogen.
What is the SMILES notation for 2-[2-(ethylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide;molecular hydrogen?
The canonical SMILES for 2-[2-(ethylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide;molecular hydrogen is CCS(=O)(=O)Nc1nc(C(C)(C)C(=O)Nc2ccc(-c3cncc(C(F)(F)F)n3)cc2)cs1.[H][H].[H][H].
What is the InChIKey of 2-[2-(ethylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide;molecular hydrogen?
The InChIKey is LONLJXGJLQSZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O3S2.2H2/c1-4-33(30,31)28-18-27-16(11-32-18)19(2,3)17(29)25-13-7-5-12(6-8-13)14-9-24-10-15(26-14)20(21,22)23;;/h5-11H,4H2,1-3H3,(H,25,29)(H,27,28);2*1H.
What are the key properties of 2-[2-(ethylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide;molecular hydrogen?
2-[2-(ethylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide;molecular hydrogen has a molecular weight of 503.57 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]propanamide;molecular hydrogen is sourced from PubChem (CID 155733994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).