N-benzyl-N-ethyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide

C21H21N3O3S — CID 84556290

IUPACN-benzyl-N-ethyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1csc(NC(=O)c2ccc(OC)cc2)n1
InChIInChI=1S/C21H21N3O3S/c1-3-24(13-15-7-5-4-6-8-15)20(26)18-14-28-21(22-18)23-19(25)16-9-11-17(27-2)12-10-16/h4-12,14H,3,13H2,1-2H3,(H,22,23,25)
InChIKeyHBAPXSRUJZKPPP-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.07
Rot. Bonds7

About N-benzyl-N-ethyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide

N-benzyl-N-ethyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 84556290) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID84556290
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-benzyl-N-ethyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1csc(NC(=O)c2ccc(OC)cc2)n1
InChIInChI=1S/C21H21N3O3S/c1-3-24(13-15-7-5-4-6-8-15)20(26)18-14-28-21(22-18)23-19(25)16-9-11-17(27-2)12-10-16/h4-12,14H,3,13H2,1-2H3,(H,22,23,25)
InChIKeyHBAPXSRUJZKPPP-UHFFFAOYSA-N
XLogP4.07
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555626
2-benzamido-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 16914887
2-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 16916267
N-hexyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555627
2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84555698
N-benzyl-2-(4-methoxyanilino)-N-methyl-1,3-thiazole-4-carboxamide
CID 1096806
2-benzamido-N-ethyl-1,3-thiazole-4-carboxamide
CID 16914905
N-(2-bromophenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84550351
N-[2-(4-hydroxyphenyl)ethyl]-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555612
N-benzyl-N-[2-(dimethylamino)ethyl]-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 46172645
2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
CID 16914921
N-[2-(2-hydroxyethoxy)ethyl]-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555706

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide (CID 84556290) is N-benzyl-N-ethyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1csc(NC(=O)c2ccc(OC)cc2)n1.
What is the InChIKey of N-benzyl-N-ethyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is HBAPXSRUJZKPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-3-24(13-15-7-5-4-6-8-15)20(26)18-14-28-21(22-18)23-19(25)16-9-11-17(27-2)12-10-16/h4-12,14H,3,13H2,1-2H3,(H,22,23,25).
What are the key properties of N-benzyl-N-ethyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
N-benzyl-N-ethyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84556290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).