N'-[1-(1,3-thiazol-4-yl)ethyl]-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide

C15H15F3N4O2S — CID 167794775

IUPACN'-[1-(1,3-thiazol-4-yl)ethyl]-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide
SMILESCC(NC(=O)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)nc1)c1cscn1
InChIInChI=1S/C15H15F3N4O2S/c1-8(10-3-4-12(19-5-10)15(16,17)18)21-13(23)14(24)22-9(2)11-6-25-7-20-11/h3-9H,1-2H3,(H,21,23)(H,22,24)/t8-,9?/m0/s1
InChIKeyIIAXSVJEDQFZFH-IENPIDJESA-N
MW372.37 g/mol
LogP2.61
Rot. Bonds4

About N'-[1-(1,3-thiazol-4-yl)ethyl]-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide

N'-[1-(1,3-thiazol-4-yl)ethyl]-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide (PubChem CID 167794775) has the molecular formula C15H15F3N4O2S and a molecular weight of 372.37 g/mol. Its IUPAC name is N'-[1-(1,3-thiazol-4-yl)ethyl]-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide.

Molecular Properties

Compound NameN'-[1-(1,3-thiazol-4-yl)ethyl]-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide
PubChem CID167794775
Molecular FormulaC15H15F3N4O2S
Molecular Weight372.37 g/mol
Exact Mass372.09
IUPAC NameN'-[1-(1,3-thiazol-4-yl)ethyl]-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide
SMILESCC(NC(=O)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)nc1)c1cscn1
InChIInChI=1S/C15H15F3N4O2S/c1-8(10-3-4-12(19-5-10)15(16,17)18)21-13(23)14(24)22-9(2)11-6-25-7-20-11/h3-9H,1-2H3,(H,21,23)(H,22,24)/t8-,9?/m0/s1
InChIKeyIIAXSVJEDQFZFH-IENPIDJESA-N
XLogP2.61
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
CID 68813957
N-(1-ethylpyrazol-4-yl)-N'-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide
CID 167919378
1-methyl-5-[[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamoyl]pyrazole-4-carboxylic acid
CID 167853535
1-[6-(trifluoromethyl)-3-pyridinyl]ethylhydrazine;hydrochloride
CID 137356558
2-oxo-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1H-pyridine-4-carboxamide
CID 155955914
5-(1-iodoethyl)-2-(trifluoromethyl)pyridine
CID 142294771
N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrimidine-7-carboxamide
CID 155961645
[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium
CID 164715814
1-(4-chlorophenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide
CID 46917889
acetic acid;6-(trifluoromethyl)pyridin-3-ol
CID 162333498
N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 63037033
1-(2-fluoro-4-methylphenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide
CID 46917823

Frequently Asked Questions

What is the IUPAC name of N'-[1-(1,3-thiazol-4-yl)ethyl]-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide?
The IUPAC name of N'-[1-(1,3-thiazol-4-yl)ethyl]-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide (CID 167794775) is N'-[1-(1,3-thiazol-4-yl)ethyl]-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide.
What is the SMILES notation for N'-[1-(1,3-thiazol-4-yl)ethyl]-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide?
The canonical SMILES for N'-[1-(1,3-thiazol-4-yl)ethyl]-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide is CC(NC(=O)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)nc1)c1cscn1.
What is the InChIKey of N'-[1-(1,3-thiazol-4-yl)ethyl]-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide?
The InChIKey is IIAXSVJEDQFZFH-IENPIDJESA-N. The full InChI is InChI=1S/C15H15F3N4O2S/c1-8(10-3-4-12(19-5-10)15(16,17)18)21-13(23)14(24)22-9(2)11-6-25-7-20-11/h3-9H,1-2H3,(H,21,23)(H,22,24)/t8-,9?/m0/s1.
What are the key properties of N'-[1-(1,3-thiazol-4-yl)ethyl]-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide?
N'-[1-(1,3-thiazol-4-yl)ethyl]-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide has a molecular weight of 372.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1,3-thiazol-4-yl)ethyl]-N-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide is sourced from PubChem (CID 167794775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).