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

C16H19N3O3S — CID 48576458

IUPAC2-ethyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCCNC(=O)COc2ccccc2)s1
InChIInChI=1S/C16H19N3O3S/c1-2-15-19-10-13(23-15)16(21)18-9-8-17-14(20)11-22-12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3,(H,17,20)(H,18,21)
InChIKeyIDVQNAWCBDFOIK-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.63
Rot. Bonds8

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

2-ethyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 48576458) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-ethyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID48576458
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-ethyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCCNC(=O)COc2ccccc2)s1
InChIInChI=1S/C16H19N3O3S/c1-2-15-19-10-13(23-15)16(21)18-9-8-17-14(20)11-22-12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3,(H,17,20)(H,18,21)
InChIKeyIDVQNAWCBDFOIK-UHFFFAOYSA-N
XLogP1.63
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.63
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

2-ethyl-4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 49324825
2-ethyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide
CID 48574128
2-ethyl-N-[2-(furan-3-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47426643
2-ethyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide
CID 111433740
4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 4615382
N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 155946342
4-tert-butyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 108541991
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenoxyacetamide
CID 39071979
N-[2-(4-chlorophenoxy)ethyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 57210461
2-phenoxy-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide
CID 110717509
4-bromo-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 38611489
2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110852278

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide (CID 48576458) is 2-ethyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NCCNC(=O)COc2ccccc2)s1.
What is the InChIKey of 2-ethyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is IDVQNAWCBDFOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-2-15-19-10-13(23-15)16(21)18-9-8-17-14(20)11-22-12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 2-ethyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
2-ethyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48576458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).