1-ethyl-2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide

C21H20N4O2S2 — CID 122286504

IUPAC1-ethyl-2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)nc1C
InChIInChI=1S/C21H20N4O2S2/c1-3-25-13-20(22-15(25)2)29(26,27)24-18-11-9-16(10-12-18)19-14-28-21(23-19)17-7-5-4-6-8-17/h4-14,24H,3H2,1-2H3
InChIKeyGLOKOZDVPUUJPW-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.80
Rot. Bonds6

About 1-ethyl-2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide

1-ethyl-2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide (PubChem CID 122286504) has the molecular formula C21H20N4O2S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
PubChem CID122286504
Molecular FormulaC21H20N4O2S2
Molecular Weight424.55 g/mol
Exact Mass424.10
IUPAC Name1-ethyl-2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)nc1C
InChIInChI=1S/C21H20N4O2S2/c1-3-25-13-20(22-15(25)2)29(26,27)24-18-11-9-16(10-12-18)19-14-28-21(23-19)17-7-5-4-6-8-17/h4-14,24H,3H2,1-2H3
InChIKeyGLOKOZDVPUUJPW-UHFFFAOYSA-N
XLogP4.80
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,2-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
CID 122286498
1,2-dimethyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
CID 122286251
N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-4-sulfonamide
CID 122286500
4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 1203751
2-fluoro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286327
1-ethyl-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide
CID 122299488
N-(2-acetylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 62064796
4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]benzoic acid
CID 167475368
N-(4-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62066063
1,2-dimethyl-N-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 53035430
3-nitro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 58874615
1-ethyl-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-methylimidazole-4-sulfonamide
CID 122325898

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide (CID 122286504) is 1-ethyl-2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)nc1C.
What is the InChIKey of 1-ethyl-2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide?
The InChIKey is GLOKOZDVPUUJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S2/c1-3-25-13-20(22-15(25)2)29(26,27)24-18-11-9-16(10-12-18)19-14-28-21(23-19)17-7-5-4-6-8-17/h4-14,24H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide?
1-ethyl-2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide has a molecular weight of 424.55 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide is sourced from PubChem (CID 122286504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).