2-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide

C17H21N3O3S2 — CID 51126593

IUPAC2-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cs1
InChIInChI=1S/C17H21N3O3S2/c1-12-6-7-14(25(22,23)20-8-4-3-5-9-20)10-15(12)19-17(21)16-11-24-13(2)18-16/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,19,21)
InChIKeyJGYHQKXEBVNAPD-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.19
Rot. Bonds4

About 2-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide

2-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 51126593) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID51126593
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC Name2-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cs1
InChIInChI=1S/C17H21N3O3S2/c1-12-6-7-14(25(22,23)20-8-4-3-5-9-20)10-15(12)19-17(21)16-11-24-13(2)18-16/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,19,21)
InChIKeyJGYHQKXEBVNAPD-UHFFFAOYSA-N
XLogP3.19
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 9454137
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide
CID 18284846
1,3-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 30839985
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-phenyltriazole-4-carboxamide
CID 46686156
methyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 7695652
4-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 27668000
2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7695778
4-(dimethylsulfamoyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4852363
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 18074440
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 110646062
2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 55365291
5-bromo-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 4878026

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide (CID 51126593) is 2-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cs1.
What is the InChIKey of 2-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JGYHQKXEBVNAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-12-6-7-14(25(22,23)20-8-4-3-5-9-20)10-15(12)19-17(21)16-11-24-13(2)18-16/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,19,21).
What are the key properties of 2-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide?
2-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51126593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).