2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide

C20H18F3N3O3S — CID 46554976

IUPAC2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cc1csc(-c2ccco2)n1
InChIInChI=1S/C20H18F3N3O3S/c1-2-7-26(10-16(27)25-14-6-5-13(21)18(22)19(14)23)17(28)9-12-11-30-20(24-12)15-4-3-8-29-15/h3-6,8,11H,2,7,9-10H2,1H3,(H,25,27)
InChIKeyYJSODKSTETUXSJ-UHFFFAOYSA-N
MW437.44 g/mol
LogP4.24
Rot. Bonds8

About 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide

2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide (PubChem CID 46554976) has the molecular formula C20H18F3N3O3S and a molecular weight of 437.44 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
PubChem CID46554976
Molecular FormulaC20H18F3N3O3S
Molecular Weight437.44 g/mol
Exact Mass437.10
IUPAC Name2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cc1csc(-c2ccco2)n1
InChIInChI=1S/C20H18F3N3O3S/c1-2-7-26(10-16(27)25-14-6-5-13(21)18(22)19(14)23)17(28)9-12-11-30-20(24-12)15-4-3-8-29-15/h3-6,8,11H,2,7,9-10H2,1H3,(H,25,27)
InChIKeyYJSODKSTETUXSJ-UHFFFAOYSA-N
XLogP4.24
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55542035
3-[ethyl-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 61007308
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8551086
(E)-3-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylprop-2-enamide
CID 26730638
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 27773173
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 24627445
2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 24677447
methyl 2,4-difluoro-5-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 24666831
2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 24509284
6-(furan-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-propan-2-yl-N-propylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24581341
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55499846
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide?
The IUPAC name of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide (CID 46554976) is 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide.
What is the SMILES notation for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide?
The canonical SMILES for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cc1csc(-c2ccco2)n1.
What is the InChIKey of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide?
The InChIKey is YJSODKSTETUXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3S/c1-2-7-26(10-16(27)25-14-6-5-13(21)18(22)19(14)23)17(28)9-12-11-30-20(24-12)15-4-3-8-29-15/h3-6,8,11H,2,7,9-10H2,1H3,(H,25,27).
What are the key properties of 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide?
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide has a molecular weight of 437.44 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide is sourced from PubChem (CID 46554976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).