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

C20H19N3O3S — CID 86921294

IUPACN-[2-[(3-methoxybenzoyl)amino]ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(C(=O)NCCNC(=O)c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C20H19N3O3S/c1-26-16-9-5-8-15(12-16)18(24)21-10-11-22-19(25)17-13-27-20(23-17)14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyNPXYVPXNKJCDDI-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.98
Rot. Bonds7

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

N-[2-[(3-methoxybenzoyl)amino]ethyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 86921294) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[2-[(3-methoxybenzoyl)amino]ethyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methoxybenzoyl)amino]ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID86921294
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-[2-[(3-methoxybenzoyl)amino]ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(C(=O)NCCNC(=O)c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C20H19N3O3S/c1-26-16-9-5-8-15(12-16)18(24)21-10-11-22-19(25)17-13-27-20(23-17)14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyNPXYVPXNKJCDDI-UHFFFAOYSA-N
XLogP2.98
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.98
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

3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7693515
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110317449
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
N-(3-aminobutyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119495584
N-octadecyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 11259615
N-[2-(3-methoxyphenoxy)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55792234
methyl 4-[[(2-phenyl-1,3-thiazole-4-carbonyl)amino]methyl]benzoate
CID 55386593
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxybenzoyl)amino]ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[(3-methoxybenzoyl)amino]ethyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 86921294) is N-[2-[(3-methoxybenzoyl)amino]ethyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[(3-methoxybenzoyl)amino]ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[(3-methoxybenzoyl)amino]ethyl]-2-phenyl-1,3-thiazole-4-carboxamide is COc1cccc(C(=O)NCCNC(=O)c2csc(-c3ccccc3)n2)c1.
What is the InChIKey of N-[2-[(3-methoxybenzoyl)amino]ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is NPXYVPXNKJCDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-26-16-9-5-8-15(12-16)18(24)21-10-11-22-19(25)17-13-27-20(23-17)14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-[(3-methoxybenzoyl)amino]ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[2-[(3-methoxybenzoyl)amino]ethyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxybenzoyl)amino]ethyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86921294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).