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

C17H21N3O3S — CID 49328580

IUPAC2-ethyl-N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCCNC(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C17H21N3O3S/c1-4-14-20-11(2)15(24-14)17(22)19-10-9-18-16(21)12-5-7-13(23-3)8-6-12/h5-8H,4,9-10H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyBPLRTNJKOOMEGR-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.18
Rot. Bonds7

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

2-ethyl-N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 49328580) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-ethyl-N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID49328580
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-ethyl-N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCCNC(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C17H21N3O3S/c1-4-14-20-11(2)15(24-14)17(22)19-10-9-18-16(21)12-5-7-13(23-3)8-6-12/h5-8H,4,9-10H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyBPLRTNJKOOMEGR-UHFFFAOYSA-N
XLogP2.18
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55546254
2-ethyl-4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 49324825
3-[[4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]benzoyl]amino]propanoic acid
CID 119222870
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzamide
CID 7222729
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide
CID 110440268
2-ethyl-4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3-thiazole-5-carboxamide
CID 49322441
2-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16562673
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
4-methoxy-N-pentylbenzamide
CID 3113360
2-(methoxymethyl)-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374817
2-[(3,4-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 50746403

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 49328580) is 2-ethyl-N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)NCCNC(=O)c2ccc(OC)cc2)s1.
What is the InChIKey of 2-ethyl-N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is BPLRTNJKOOMEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-4-14-20-11(2)15(24-14)17(22)19-10-9-18-16(21)12-5-7-13(23-3)8-6-12/h5-8H,4,9-10H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 2-ethyl-N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-ethyl-N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49328580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).