2-ethylsulfonyl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide

C17H18N4O3S2 — CID 24621136

IUPAC2-ethylsulfonyl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1nc(C)c(-c2nccn2C)s1
InChIInChI=1S/C17H18N4O3S2/c1-4-26(23,24)13-8-6-5-7-12(13)16(22)20-17-19-11(2)14(25-17)15-18-9-10-21(15)3/h5-10H,4H2,1-3H3,(H,19,20,22)
InChIKeyVWSIHWZRTKXEEF-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.90
Rot. Bonds5

About 2-ethylsulfonyl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide

2-ethylsulfonyl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 24621136) has the molecular formula C17H18N4O3S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID24621136
Molecular FormulaC17H18N4O3S2
Molecular Weight390.49 g/mol
Exact Mass390.08
IUPAC Name2-ethylsulfonyl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1nc(C)c(-c2nccn2C)s1
InChIInChI=1S/C17H18N4O3S2/c1-4-26(23,24)13-8-6-5-7-12(13)16(22)20-17-19-11(2)14(25-17)15-18-9-10-21(15)3/h5-10H,4H2,1-3H3,(H,19,20,22)
InChIKeyVWSIHWZRTKXEEF-UHFFFAOYSA-N
XLogP2.90
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 55514296
N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]quinoline-5-carboxamide
CID 24621163
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
CID 38166006
2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7295168
2-ethylsulfonyl-N-(2-methylpyrimidin-4-yl)benzamide
CID 91642997
2-ethylsulfonyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 51102554
2-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7578603
2-(2-methoxyethoxy)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 56555673
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide
CID 18577011
3,5-dichloro-4-hydroxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
CID 25348239
2-ethylsulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 28543180
2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7578610

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-ethylsulfonyl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide (CID 24621136) is 2-ethylsulfonyl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-ethylsulfonyl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-ethylsulfonyl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide is CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(C)c(-c2nccn2C)s1.
What is the InChIKey of 2-ethylsulfonyl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is VWSIHWZRTKXEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S2/c1-4-26(23,24)13-8-6-5-7-12(13)16(22)20-17-19-11(2)14(25-17)15-18-9-10-21(15)3/h5-10H,4H2,1-3H3,(H,19,20,22).
What are the key properties of 2-ethylsulfonyl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide?
2-ethylsulfonyl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 390.49 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 24621136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).