2-(4-methoxyphenyl)-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide

C21H18N4O3S — CID 56503203

IUPAC2-(4-methoxyphenyl)-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3ccccc3-n3c(C)c[nH]c3=O)cs2)cc1
InChIInChI=1S/C21H18N4O3S/c1-13-11-22-21(27)25(13)18-6-4-3-5-16(18)23-19(26)17-12-29-20(24-17)14-7-9-15(28-2)10-8-14/h3-12H,1-2H3,(H,22,27)(H,23,26)
InChIKeyFJHJWCJELDMWHN-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.86
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide

2-(4-methoxyphenyl)-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 56503203) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID56503203
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC Name2-(4-methoxyphenyl)-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3ccccc3-n3c(C)c[nH]c3=O)cs2)cc1
InChIInChI=1S/C21H18N4O3S/c1-13-11-22-21(27)25(13)18-6-4-3-5-16(18)23-19(26)17-12-29-20(24-17)14-7-9-15(28-2)10-8-14/h3-12H,1-2H3,(H,22,27)(H,23,26)
InChIKeyFJHJWCJELDMWHN-UHFFFAOYSA-N
XLogP3.86
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxyphenyl)-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 17417805
4-methoxy-N-[2-[[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]carbamoylamino]ethyl]benzamide
CID 56554813
N-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 26721200
N-(2,5-dimethyl-4-pyridinyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 167821309
2-[4-(hydroxymethyl)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71142445
N'-(2-chlorobenzoyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 35929815
N-(4-fluoro-2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 32610380
N-(1,2-dihydropyridin-6-yl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 102433006
2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
N-(4,5-dimethoxy-2-methylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51205352
2-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 18152667
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 56503203) is 2-(4-methoxyphenyl)-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)Nc3ccccc3-n3c(C)c[nH]c3=O)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is FJHJWCJELDMWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-13-11-22-21(27)25(13)18-6-4-3-5-16(18)23-19(26)17-12-29-20(24-17)14-7-9-15(28-2)10-8-14/h3-12H,1-2H3,(H,22,27)(H,23,26).
What are the key properties of 2-(4-methoxyphenyl)-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide?
2-(4-methoxyphenyl)-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 406.47 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56503203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).