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

C19H21ClN4O3S2 — CID 70037678

IUPACN-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;hydrochloride
SMILESCNS(=O)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)nc1C.Cl
InChIInChI=1S/C19H20N4O3S2.ClH/c1-13-18(28(25,26)20-2)27-19(22-13)23(3)17(24)12-14-7-9-15(10-8-14)16-6-4-5-11-21-16;/h4-11,20H,12H2,1-3H3;1H
InChIKeyAEIUYQRNJSKQKA-UHFFFAOYSA-N
MW452.99 g/mol
LogP3.05
Rot. Bonds6

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

N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;hydrochloride (PubChem CID 70037678) has the molecular formula C19H21ClN4O3S2 and a molecular weight of 452.99 g/mol. Its IUPAC name is N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;hydrochloride
PubChem CID70037678
Molecular FormulaC19H21ClN4O3S2
Molecular Weight452.99 g/mol
Exact Mass452.07
IUPAC NameN-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;hydrochloride
SMILESCNS(=O)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)nc1C.Cl
InChIInChI=1S/C19H20N4O3S2.ClH/c1-13-18(28(25,26)20-2)27-19(22-13)23(3)17(24)12-14-7-9-15(10-8-14)16-6-4-5-11-21-16;/h4-11,20H,12H2,1-3H3;1H
InChIKeyAEIUYQRNJSKQKA-UHFFFAOYSA-N
XLogP3.05
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.99
LogP ≤ 53.05
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-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;hydrochloride?
The IUPAC name of N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;hydrochloride (CID 70037678) is N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;hydrochloride?
The canonical SMILES for N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;hydrochloride is CNS(=O)(=O)c1sc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)nc1C.Cl.
What is the InChIKey of N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;hydrochloride?
The InChIKey is AEIUYQRNJSKQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S2.ClH/c1-13-18(28(25,26)20-2)27-19(22-13)23(3)17(24)12-14-7-9-15(10-8-14)16-6-4-5-11-21-16;/h4-11,20H,12H2,1-3H3;1H.
What are the key properties of N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;hydrochloride?
N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;hydrochloride has a molecular weight of 452.99 g/mol, XLogP of 3.05, 6 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-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 70037678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).