2-(3-chlorophenyl)-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide

C19H18ClN3O3S2 — CID 24646825

IUPAC2-(3-chlorophenyl)-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCNS(=O)(=O)c1cc(NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)ccc1C
InChIInChI=1S/C19H18ClN3O3S2/c1-11-7-8-15(10-16(11)28(25,26)21-3)23-18(24)17-12(2)22-19(27-17)13-5-4-6-14(20)9-13/h4-10,21H,1-3H3,(H,23,24)
InChIKeyDFDHRMHPXBLHEG-UHFFFAOYSA-N
MW435.96 g/mol
LogP4.24
Rot. Bonds5

About 2-(3-chlorophenyl)-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide

2-(3-chlorophenyl)-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 24646825) has the molecular formula C19H18ClN3O3S2 and a molecular weight of 435.96 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID24646825
Molecular FormulaC19H18ClN3O3S2
Molecular Weight435.96 g/mol
Exact Mass435.05
IUPAC Name2-(3-chlorophenyl)-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCNS(=O)(=O)c1cc(NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)ccc1C
InChIInChI=1S/C19H18ClN3O3S2/c1-11-7-8-15(10-16(11)28(25,26)21-3)23-18(24)17-12(2)22-19(27-17)13-5-4-6-14(20)9-13/h4-10,21H,1-3H3,(H,23,24)
InChIKeyDFDHRMHPXBLHEG-UHFFFAOYSA-N
XLogP4.24
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide (CID 24646825) is 2-(3-chlorophenyl)-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide is CNS(=O)(=O)c1cc(NC(=O)c2sc(-c3cccc(Cl)c3)nc2C)ccc1C.
What is the InChIKey of 2-(3-chlorophenyl)-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DFDHRMHPXBLHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S2/c1-11-7-8-15(10-16(11)28(25,26)21-3)23-18(24)17-12(2)22-19(27-17)13-5-4-6-14(20)9-13/h4-10,21H,1-3H3,(H,23,24).
What are the key properties of 2-(3-chlorophenyl)-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide?
2-(3-chlorophenyl)-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 435.96 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24646825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).