2-(4-ethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide

C22H23N3O3S — CID 38741594

IUPAC2-(4-ethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)N(C)Cc3ccc(C(=O)NC)cc3)cs2)cc1
InChIInChI=1S/C22H23N3O3S/c1-4-28-18-11-9-17(10-12-18)21-24-19(14-29-21)22(27)25(3)13-15-5-7-16(8-6-15)20(26)23-2/h5-12,14H,4,13H2,1-3H3,(H,23,26)
InChIKeyHITLKXGDBZBIOX-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.84
Rot. Bonds7

About 2-(4-ethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide

2-(4-ethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 38741594) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID38741594
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name2-(4-ethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)N(C)Cc3ccc(C(=O)NC)cc3)cs2)cc1
InChIInChI=1S/C22H23N3O3S/c1-4-28-18-11-9-17(10-12-18)21-24-19(14-29-21)22(27)25(3)13-15-5-7-16(8-6-15)20(26)23-2/h5-12,14H,4,13H2,1-3H3,(H,23,26)
InChIKeyHITLKXGDBZBIOX-UHFFFAOYSA-N
XLogP3.84
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9124161
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
N-benzyl-2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42865825
2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 18114414
2-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide
CID 46065907
N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 78780692
4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774049
2-(4-ethoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]-1,3-thiazole-4-carboxamide
CID 46434134
2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 78861167
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 51217667
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide
CID 24546571
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]quinoxaline-2-carboxamide
CID 26722336

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 38741594) is 2-(4-ethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is CCOc1ccc(-c2nc(C(=O)N(C)Cc3ccc(C(=O)NC)cc3)cs2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HITLKXGDBZBIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-4-28-18-11-9-17(10-12-18)21-24-19(14-29-21)22(27)25(3)13-15-5-7-16(8-6-15)20(26)23-2/h5-12,14H,4,13H2,1-3H3,(H,23,26).
What are the key properties of 2-(4-ethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
2-(4-ethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 38741594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).