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

C18H19N5O2S2 — CID 155661868

IUPACN-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylphenyl)acetamide
SMILES[H]N=S(C)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ncccn3)cc2)nc1C
InChIInChI=1S/C18H19N5O2S2/c1-12-17(27(3,19)25)26-18(22-12)23(2)15(24)11-13-5-7-14(8-6-13)16-20-9-4-10-21-16/h4-10,19H,11H2,1-3H3
InChIKeyJJVOPVXONZOTGM-UHFFFAOYSA-N
MW401.52 g/mol
LogP3.15
Rot. Bonds5

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

N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylphenyl)acetamide (PubChem CID 155661868) has the molecular formula C18H19N5O2S2 and a molecular weight of 401.52 g/mol. Its IUPAC name is N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylphenyl)acetamide
PubChem CID155661868
Molecular FormulaC18H19N5O2S2
Molecular Weight401.52 g/mol
Exact Mass401.10
IUPAC NameN-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylphenyl)acetamide
SMILES[H]N=S(C)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ncccn3)cc2)nc1C
InChIInChI=1S/C18H19N5O2S2/c1-12-17(27(3,19)25)26-18(22-12)23(2)15(24)11-13-5-7-14(8-6-13)16-20-9-4-10-21-16/h4-10,19H,11H2,1-3H3
InChIKeyJJVOPVXONZOTGM-UHFFFAOYSA-N
XLogP3.15
TPSA99.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-pyrimidin-2-ylphenyl)acetamide?
The IUPAC name of N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylphenyl)acetamide (CID 155661868) is N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylphenyl)acetamide.
What is the SMILES notation for N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylphenyl)acetamide?
The canonical SMILES for N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylphenyl)acetamide is [H]N=S(C)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ncccn3)cc2)nc1C.
What is the InChIKey of N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylphenyl)acetamide?
The InChIKey is JJVOPVXONZOTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S2/c1-12-17(27(3,19)25)26-18(22-12)23(2)15(24)11-13-5-7-14(8-6-13)16-20-9-4-10-21-16/h4-10,19H,11H2,1-3H3.
What are the key properties of N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylphenyl)acetamide?
N-methyl-N-[4-methyl-5-(methylsulfonimidoyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylphenyl)acetamide has a molecular weight of 401.52 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-pyrimidin-2-ylphenyl)acetamide is sourced from PubChem (CID 155661868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).