2-ethyl-4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide

C17H21N3O3S — CID 49324825

IUPAC2-ethyl-4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCCNC(=O)COc2ccccc2)s1
InChIInChI=1S/C17H21N3O3S/c1-3-15-20-12(2)16(24-15)17(22)19-10-9-18-14(21)11-23-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyCBDPDCARKKOZJK-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.94
Rot. Bonds8

About 2-ethyl-4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide

2-ethyl-4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 49324825) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID49324825
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-ethyl-4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCCNC(=O)COc2ccccc2)s1
InChIInChI=1S/C17H21N3O3S/c1-3-15-20-12(2)16(24-15)17(22)19-10-9-18-14(21)11-23-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyCBDPDCARKKOZJK-UHFFFAOYSA-N
XLogP1.94
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-ethyl-4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-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-ethyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 48576458
2-ethyl-N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49328580
4-methyl-N-(3-methylbutyl)-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936080
4-methyl-N-[2-(naphthalen-1-ylamino)ethyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935734
2-(methoxymethyl)-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374817
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenoxyacetamide
CID 39071979
N-benzyl-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide
CID 1468268
4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 4615382
4-methyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]-1,3-thiazole-5-carboxylic acid
CID 9154413
2-ethyl-4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3-thiazole-5-carboxamide
CID 49322441
N-[(4-chlorophenyl)methyl]-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936066
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389332

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide (CID 49324825) is 2-ethyl-4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)NCCNC(=O)COc2ccccc2)s1.
What is the InChIKey of 2-ethyl-4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is CBDPDCARKKOZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-3-15-20-12(2)16(24-15)17(22)19-10-9-18-14(21)11-23-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 2-ethyl-4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
2-ethyl-4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49324825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).