N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide

C19H20N4O2S2 — CID 138534925

IUPACN-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide
SMILES[H]N=[S@@](C)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)nc1C
InChIInChI=1S/C19H20N4O2S2/c1-13-18(27(3,20)25)26-19(22-13)23(2)17(24)12-14-7-9-15(10-8-14)16-6-4-5-11-21-16/h4-11,20H,12H2,1-3H3/t27-/m0/s1
InChIKeyZDGRIBNQGIXLIO-MHZLTWQESA-N
MW400.53 g/mol
LogP3.75
Rot. Bonds5

About N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide

N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide (PubChem CID 138534925) has the molecular formula C19H20N4O2S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide
PubChem CID138534925
Molecular FormulaC19H20N4O2S2
Molecular Weight400.53 g/mol
Exact Mass400.10
IUPAC NameN-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide
SMILES[H]N=[S@@](C)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)nc1C
InChIInChI=1S/C19H20N4O2S2/c1-13-18(27(3,20)25)26-19(22-13)23(2)17(24)12-14-7-9-15(10-8-14)16-6-4-5-11-21-16/h4-11,20H,12H2,1-3H3/t27-/m0/s1
InChIKeyZDGRIBNQGIXLIO-MHZLTWQESA-N
XLogP3.75
TPSA87.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide?
The IUPAC name of N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide (CID 138534925) is N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide.
What is the SMILES notation for N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide?
The canonical SMILES for N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide is [H]N=[S@@](C)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)nc1C.
What is the InChIKey of N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide?
The InChIKey is ZDGRIBNQGIXLIO-MHZLTWQESA-N. The full InChI is InChI=1S/C19H20N4O2S2/c1-13-18(27(3,20)25)26-19(22-13)23(2)17(24)12-14-7-9-15(10-8-14)16-6-4-5-11-21-16/h4-11,20H,12H2,1-3H3/t27-/m0/s1.
What are the key properties of N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide?
N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide has a molecular weight of 400.53 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide is sourced from PubChem (CID 138534925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).