2-(2,3-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-4-carboxamide

C23H20N4O4S — CID 24672391

IUPAC2-(2,3-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)Nc3ccc(C(=O)c4nccn4C)cc3)cs2)c1OC
InChIInChI=1S/C23H20N4O4S/c1-27-12-11-24-21(27)19(28)14-7-9-15(10-8-14)25-22(29)17-13-32-23(26-17)16-5-4-6-18(30-2)20(16)31-3/h4-13H,1-3H3,(H,25,29)
InChIKeyVRYZJFNKWMLNJV-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.04
Rot. Bonds7

About 2-(2,3-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-4-carboxamide

2-(2,3-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 24672391) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID24672391
Molecular FormulaC23H20N4O4S
Molecular Weight448.50 g/mol
Exact Mass448.12
IUPAC Name2-(2,3-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)Nc3ccc(C(=O)c4nccn4C)cc3)cs2)c1OC
InChIInChI=1S/C23H20N4O4S/c1-27-12-11-24-21(27)19(28)14-7-9-15(10-8-14)25-22(29)17-13-32-23(26-17)16-5-4-6-18(30-2)20(16)31-3/h4-13H,1-3H3,(H,25,29)
InChIKeyVRYZJFNKWMLNJV-UHFFFAOYSA-N
XLogP4.04
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,3-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 24671897
2-(2,3-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 24671896
2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide
CID 146154055
N'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 36716067
N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 36751297
2,4-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 18192795
2,5-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 18192820
2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 46560358
N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide
CID 17414915
2-(2,3-dimethoxyphenyl)-N-(1-propylbenzimidazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36717326
2-(2,3-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide
CID 24672068
6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide
CID 18149133

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-4-carboxamide (CID 24672391) is 2-(2,3-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-4-carboxamide is COc1cccc(-c2nc(C(=O)Nc3ccc(C(=O)c4nccn4C)cc3)cs2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VRYZJFNKWMLNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4S/c1-27-12-11-24-21(27)19(28)14-7-9-15(10-8-14)25-22(29)17-13-32-23(26-17)16-5-4-6-18(30-2)20(16)31-3/h4-13H,1-3H3,(H,25,29).
What are the key properties of 2-(2,3-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-4-carboxamide?
2-(2,3-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24672391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).