2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide

C13H15F3N4O2S — CID 51089168

IUPAC2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESO=C(CN1CSCC1=O)NCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C13H15F3N4O2S/c14-13(15,16)9-2-1-3-18-12(9)19-5-4-17-10(21)6-20-8-23-7-11(20)22/h1-3H,4-8H2,(H,17,21)(H,18,19)
InChIKeyOOCSPKKQYPFCMN-UHFFFAOYSA-N
MW348.35 g/mol
LogP1.16
Rot. Bonds6

About 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide

2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (PubChem CID 51089168) has the molecular formula C13H15F3N4O2S and a molecular weight of 348.35 g/mol. Its IUPAC name is 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
PubChem CID51089168
Molecular FormulaC13H15F3N4O2S
Molecular Weight348.35 g/mol
Exact Mass348.09
IUPAC Name2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESO=C(CN1CSCC1=O)NCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C13H15F3N4O2S/c14-13(15,16)9-2-1-3-18-12(9)19-5-4-17-10(21)6-20-8-23-7-11(20)22/h1-3H,4-8H2,(H,17,21)(H,18,19)
InChIKeyOOCSPKKQYPFCMN-UHFFFAOYSA-N
XLogP1.16
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 51.16
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-(3-oxo-1,4-benzothiazin-4-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 55932752
2-thiophen-2-yl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 51090526
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide
CID 131963289
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 55933255
2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 51122393
3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
CID 43354693
1-(2-ethylphenyl)-5-oxo-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrrolidine-3-carboxamide
CID 55934019
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,2,5-thiadiazole-3-carboxamide
CID 87040895
2-(3-methoxyphenoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 87036570
N-[2-(cycloheptylamino)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
CID 119621270
N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 54943560
N-[4-(4-fluorophenoxy)butyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 32643845

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The IUPAC name of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (CID 51089168) is 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The canonical SMILES for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is O=C(CN1CSCC1=O)NCCNc1ncccc1C(F)(F)F.
What is the InChIKey of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The InChIKey is OOCSPKKQYPFCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O2S/c14-13(15,16)9-2-1-3-18-12(9)19-5-4-17-10(21)6-20-8-23-7-11(20)22/h1-3H,4-8H2,(H,17,21)(H,18,19).
What are the key properties of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide has a molecular weight of 348.35 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is sourced from PubChem (CID 51089168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).