2-tert-butyl-N-[4-(diethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

C19H27N3O3S2 — CID 48980775

IUPAC2-tert-butyl-N-[4-(diethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2sc(C(C)(C)C)nc2C)cc1
InChIInChI=1S/C19H27N3O3S2/c1-7-22(8-2)27(24,25)15-11-9-14(10-12-15)21-17(23)16-13(3)20-18(26-16)19(4,5)6/h9-12H,7-8H2,1-6H3,(H,21,23)
InChIKeyWKCMHBLLKRBDKG-UHFFFAOYSA-N
MW409.58 g/mol
LogP4.03
Rot. Bonds6

About 2-tert-butyl-N-[4-(diethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[4-(diethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 48980775) has the molecular formula C19H27N3O3S2 and a molecular weight of 409.58 g/mol. Its IUPAC name is 2-tert-butyl-N-[4-(diethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[4-(diethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID48980775
Molecular FormulaC19H27N3O3S2
Molecular Weight409.58 g/mol
Exact Mass409.15
IUPAC Name2-tert-butyl-N-[4-(diethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2sc(C(C)(C)C)nc2C)cc1
InChIInChI=1S/C19H27N3O3S2/c1-7-22(8-2)27(24,25)15-11-9-14(10-12-15)21-17(23)16-13(3)20-18(26-16)19(4,5)6/h9-12H,7-8H2,1-6H3,(H,21,23)
InChIKeyWKCMHBLLKRBDKG-UHFFFAOYSA-N
XLogP4.03
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-N-[4-(diethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[4-(diethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[4-(diethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 48980775) is 2-tert-butyl-N-[4-(diethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[4-(diethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[4-(diethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2sc(C(C)(C)C)nc2C)cc1.
What is the InChIKey of 2-tert-butyl-N-[4-(diethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is WKCMHBLLKRBDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S2/c1-7-22(8-2)27(24,25)15-11-9-14(10-12-15)21-17(23)16-13(3)20-18(26-16)19(4,5)6/h9-12H,7-8H2,1-6H3,(H,21,23).
What are the key properties of 2-tert-butyl-N-[4-(diethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[4-(diethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 409.58 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[4-(diethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48980775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).