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

C19H16F3N3O2S2 — CID 27773173

IUPACN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C19H16F3N3O2S2/c1-2-7-25(9-15(26)23-12-6-5-11(20)16(21)17(12)22)19(27)13-10-29-18(24-13)14-4-3-8-28-14/h3-6,8,10H,2,7,9H2,1H3,(H,23,26)
InChIKeyQHRCOZLRUQAEMG-UHFFFAOYSA-N
MW439.48 g/mol
LogP4.78
Rot. Bonds7

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

N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 27773173) has the molecular formula C19H16F3N3O2S2 and a molecular weight of 439.48 g/mol. Its IUPAC name is N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID27773173
Molecular FormulaC19H16F3N3O2S2
Molecular Weight439.48 g/mol
Exact Mass439.06
IUPAC NameN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C19H16F3N3O2S2/c1-2-7-25(9-15(26)23-12-6-5-11(20)16(21)17(12)22)19(27)13-10-29-18(24-13)14-4-3-8-28-14/h3-6,8,10H,2,7,9H2,1H3,(H,23,26)
InChIKeyQHRCOZLRUQAEMG-UHFFFAOYSA-N
XLogP4.78
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.78
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

2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 27826298
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
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyridine-4-carboxamide
CID 27773073
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55787026
5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenyl-N-propylpyrazole-3-carboxamide
CID 55755016
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 46554976
2-ethylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 55382888
4-iodo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773080
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 55504204
3,4-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 112790057
N-(2-anilino-2-oxoethyl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55637744
3-acetamido-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773105

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 27773173) is N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1csc(-c2cccs2)n1.
What is the InChIKey of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is QHRCOZLRUQAEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2S2/c1-2-7-25(9-15(26)23-12-6-5-11(20)16(21)17(12)22)19(27)13-10-29-18(24-13)14-4-3-8-28-14/h3-6,8,10H,2,7,9H2,1H3,(H,23,26).
What are the key properties of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 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]-N-propyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 27773173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).