N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C13H17N3O3S3 — CID 53112482

IUPACN-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)s1
InChIInChI=1S/C13H17N3O3S3/c1-8-12(20-9(2)15-8)13(17)14-7-10-5-6-11(21-10)22(18,19)16(3)4/h5-6H,7H2,1-4H3,(H,14,17)
InChIKeyLEKRKCUMFHKFMO-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.00
Rot. Bonds5

About N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 53112482) has the molecular formula C13H17N3O3S3 and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID53112482
Molecular FormulaC13H17N3O3S3
Molecular Weight359.50 g/mol
Exact Mass359.04
IUPAC NameN-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)s1
InChIInChI=1S/C13H17N3O3S3/c1-8-12(20-9(2)15-8)13(17)14-7-10-5-6-11(21-10)22(18,19)16(3)4/h5-6H,7H2,1-4H3,(H,14,17)
InChIKeyLEKRKCUMFHKFMO-UHFFFAOYSA-N
XLogP2.00
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 47099010
5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122111081
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea
CID 47132005
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 33152535
4-(2,5-dimethylpyrrol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]benzamide
CID 33306976
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-methoxybenzamide
CID 37017962
2-methyl-4-phenyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 24645771
2,4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 86986197
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 33307839
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 111244881
2-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 47445414
5-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 71898360

Frequently Asked Questions

What is the IUPAC name of N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 53112482) is N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCc2ccc(S(=O)(=O)N(C)C)s2)s1.
What is the InChIKey of N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is LEKRKCUMFHKFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S3/c1-8-12(20-9(2)15-8)13(17)14-7-10-5-6-11(21-10)22(18,19)16(3)4/h5-6H,7H2,1-4H3,(H,14,17).
What are the key properties of N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53112482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).