2-[(2,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide

C19H20N4O3S2 — CID 16945111

IUPAC2-[(2,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)NCc3ccccn3)s2)c(C)c1
InChIInChI=1S/C19H20N4O3S2/c1-12-7-8-16(13(2)10-12)28(25,26)23-19-22-14(3)17(27-19)18(24)21-11-15-6-4-5-9-20-15/h4-10H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyNMWWSEJUQGJCQJ-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.19
Rot. Bonds6

About 2-[(2,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide

2-[(2,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 16945111) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID16945111
Molecular FormulaC19H20N4O3S2
Molecular Weight416.53 g/mol
Exact Mass416.10
IUPAC Name2-[(2,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)NCc3ccccn3)s2)c(C)c1
InChIInChI=1S/C19H20N4O3S2/c1-12-7-8-16(13(2)10-12)28(25,26)23-19-22-14(3)17(27-19)18(24)21-11-15-6-4-5-9-20-15/h4-10H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyNMWWSEJUQGJCQJ-UHFFFAOYSA-N
XLogP3.19
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-2-ylmethyl)-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-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16945138
2-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16945117
2-(2-methoxyethylamino)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 51048761
2-[(2,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 16945173
4-methyl-2-[(6-methyl-2-pyridinyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 53200058
N-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide
CID 16945066
N-[5-(4-acetylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide
CID 16945182
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 16897453
4-methyl-2-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 75490366
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944816
4-amino-2-(tert-butylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116668709

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 16945111) is 2-[(2,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)NCc3ccccn3)s2)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is NMWWSEJUQGJCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S2/c1-12-7-8-16(13(2)10-12)28(25,26)23-19-22-14(3)17(27-19)18(24)21-11-15-6-4-5-9-20-15/h4-10H,11H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-[(2,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
2-[(2,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16945111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).