N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C17H17N3O3S3 — CID 60554830

IUPACN-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)c2csc(-c3ccsc3)n2)cc1
InChIInChI=1S/C17H17N3O3S3/c1-20(2)26(22,23)14-5-3-12(4-6-14)9-18-16(21)15-11-25-17(19-15)13-7-8-24-10-13/h3-8,10-11H,9H2,1-2H3,(H,18,21)
InChIKeyFKLGJMOSNCUTCI-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.05
Rot. Bonds6

About N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 60554830) has the molecular formula C17H17N3O3S3 and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID60554830
Molecular FormulaC17H17N3O3S3
Molecular Weight407.54 g/mol
Exact Mass407.04
IUPAC NameN-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)c2csc(-c3ccsc3)n2)cc1
InChIInChI=1S/C17H17N3O3S3/c1-20(2)26(22,23)14-5-3-12(4-6-14)9-18-16(21)15-11-25-17(19-15)13-7-8-24-10-13/h3-8,10-11H,9H2,1-2H3,(H,18,21)
InChIKeyFKLGJMOSNCUTCI-UHFFFAOYSA-N
XLogP3.05
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1H-pyrrol-3-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 106385182
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
N-(1,3-benzodioxol-5-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 8869276
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 43354490
N-(2-sulfamoylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 56787733
N-(4-hydroxy-2-methylbutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 66107326
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
N'-(4-ethoxyphenyl)sulfonyl-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
CID 9083645
4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 43355092
2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 66166847
N-[[4-(ethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 46598097
2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 17401006

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 60554830) is N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is CN(C)S(=O)(=O)c1ccc(CNC(=O)c2csc(-c3ccsc3)n2)cc1.
What is the InChIKey of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is FKLGJMOSNCUTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S3/c1-20(2)26(22,23)14-5-3-12(4-6-14)9-18-16(21)15-11-25-17(19-15)13-7-8-24-10-13/h3-8,10-11H,9H2,1-2H3,(H,18,21).
What are the key properties of N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 407.54 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-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 60554830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).