2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide

C23H27N5O4S — CID 5025418

IUPAC2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
SMILESCOCCN(Cc1nc(C(=O)NCCc2ccccn2)cs1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C23H27N5O4S/c1-31-14-13-28(23(30)26-18-6-8-19(32-2)9-7-18)15-21-27-20(16-33-21)22(29)25-12-10-17-5-3-4-11-24-17/h3-9,11,16H,10,12-15H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyAKGIGJSHAUTFPQ-UHFFFAOYSA-N
MW469.57 g/mol
LogP3.20
Rot. Bonds11

About 2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide

2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 5025418) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is 2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
PubChem CID5025418
Molecular FormulaC23H27N5O4S
Molecular Weight469.57 g/mol
Exact Mass469.18
IUPAC Name2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
SMILESCOCCN(Cc1nc(C(=O)NCCc2ccccn2)cs1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C23H27N5O4S/c1-31-14-13-28(23(30)26-18-6-8-19(32-2)9-7-18)15-21-27-20(16-33-21)22(29)25-12-10-17-5-3-4-11-24-17/h3-9,11,16H,10,12-15H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyAKGIGJSHAUTFPQ-UHFFFAOYSA-N
XLogP3.20
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 3411938
2-[[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3417946
N-cyclopropyl-2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 4030133
N-(furan-2-ylmethyl)-2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 4679622
2-[[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 5219781
2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 4693411
N-benzyl-2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 5233943
2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 3342044
methyl 2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3920263
2-[(4-chlorophenoxy)methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 39897975
2-[[(4-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-cyclohexyl-1,3-thiazole-4-carboxamide
CID 3376434
2-[[(3,4-dichlorophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 5126664

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide (CID 5025418) is 2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide is COCCN(Cc1nc(C(=O)NCCc2ccccn2)cs1)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is AKGIGJSHAUTFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4S/c1-31-14-13-28(23(30)26-18-6-8-19(32-2)9-7-18)15-21-27-20(16-33-21)22(29)25-12-10-17-5-3-4-11-24-17/h3-9,11,16H,10,12-15H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide?
2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 469.57 g/mol, XLogP of 3.20, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 5025418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).