N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C16H10F3N3O2S2 — CID 46565546

IUPACN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(CNC(=O)c1csc(-c2ccsc2)n1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H10F3N3O2S2/c17-9-1-2-10(14(19)13(9)18)21-12(23)5-20-15(24)11-7-26-16(22-11)8-3-4-25-6-8/h1-4,6-7H,5H2,(H,20,24)(H,21,23)
InChIKeyPIKRFWNJVVAFFR-UHFFFAOYSA-N
MW397.40 g/mol
LogP3.66
Rot. Bonds5

About N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 46565546) has the molecular formula C16H10F3N3O2S2 and a molecular weight of 397.40 g/mol. Its IUPAC name is N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID46565546
Molecular FormulaC16H10F3N3O2S2
Molecular Weight397.40 g/mol
Exact Mass397.02
IUPAC NameN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(CNC(=O)c1csc(-c2ccsc2)n1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H10F3N3O2S2/c17-9-1-2-10(14(19)13(9)18)21-12(23)5-20-15(24)11-7-26-16(22-11)8-3-4-25-6-8/h1-4,6-7H,5H2,(H,20,24)(H,21,23)
InChIKeyPIKRFWNJVVAFFR-UHFFFAOYSA-N
XLogP3.66
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 43354490
N-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 38741743
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 27813187
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
N-(2,4-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 36663738
2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 27826298
benzyl 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
CID 51238548
N-[3-oxo-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propyl]thiophene-3-carboxamide
CID 27813046
N'-[2-(4-chlorophenyl)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
CID 46450564
2-hydroxy-3-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 66166847
4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 43355092
N-(2-hydroxy-4-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 9087292

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 46565546) is N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is O=C(CNC(=O)c1csc(-c2ccsc2)n1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is PIKRFWNJVVAFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O2S2/c17-9-1-2-10(14(19)13(9)18)21-12(23)5-20-15(24)11-7-26-16(22-11)8-3-4-25-6-8/h1-4,6-7H,5H2,(H,20,24)(H,21,23).
What are the key properties of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 397.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46565546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).