2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide

C12H20N4O3S2 — CID 118740138

IUPAC2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC(C)(c2ncc(C(N)=O)s2)CC1
InChIInChI=1S/C12H20N4O3S2/c1-12(11-14-8-9(20-11)10(13)17)4-6-16(7-5-12)21(18,19)15(2)3/h8H,4-7H2,1-3H3,(H2,13,17)
InChIKeyYYFATKQSKABNQO-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.40
Rot. Bonds4

About 2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide

2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 118740138) has the molecular formula C12H20N4O3S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID118740138
Molecular FormulaC12H20N4O3S2
Molecular Weight332.45 g/mol
Exact Mass332.10
IUPAC Name2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC(C)(c2ncc(C(N)=O)s2)CC1
InChIInChI=1S/C12H20N4O3S2/c1-12(11-14-8-9(20-11)10(13)17)4-6-16(7-5-12)21(18,19)15(2)3/h8H,4-7H2,1-3H3,(H2,13,17)
InChIKeyYYFATKQSKABNQO-UHFFFAOYSA-N
XLogP0.40
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-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

Related Compounds

2-[1-(Dimethylsulfamoyl)-3-methylpiperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 110100896
2-tert-butyl-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 126776458
N-[ethyl(methyl)sulfamoyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 72115147
N-hydroxy-2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 59679257
2-(1-Methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 68881882
2-Piperidin-3-yl-1,3-thiazole-5-carboxamide
CID 91001007
2-(tert-Butyl)thiazole-5-carboxamide
CID 92134651
2-Tert-butyl-1,3-thiazole-5-carboxamide;molecular hydrogen
CID 144863170
2-(2,2-Dimethylpropyl)-1,3-thiazole-5-carboxamide
CID 155242557
2-[[1-(Ethylcarbamoyl)piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 175939257
N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 176373498
N-[(1-methylsulfonylpiperidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 176373501

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide (CID 118740138) is 2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide is CN(C)S(=O)(=O)N1CCC(C)(c2ncc(C(N)=O)s2)CC1.
What is the InChIKey of 2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is YYFATKQSKABNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S2/c1-12(11-14-8-9(20-11)10(13)17)4-6-16(7-5-12)21(18,19)15(2)3/h8H,4-7H2,1-3H3,(H2,13,17).
What are the key properties of 2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide?
2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylsulfamoyl)-4-methylpiperidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118740138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).