2-[2-oxo-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]sulfanylacetic acid

C10H9F3N2O3S — CID 113427832

IUPAC2-[2-oxo-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H9F3N2O3S/c11-10(12,13)7-2-1-6(3-14-7)15-8(16)4-19-5-9(17)18/h1-3H,4-5H2,(H,15,16)(H,17,18)
InChIKeyLAUKZEKZZDRUFO-UHFFFAOYSA-N
MW294.25 g/mol
LogP1.86
Rot. Bonds5

About 2-[2-oxo-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]sulfanylacetic acid

2-[2-oxo-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]sulfanylacetic acid (PubChem CID 113427832) has the molecular formula C10H9F3N2O3S and a molecular weight of 294.25 g/mol. Its IUPAC name is 2-[2-oxo-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]sulfanylacetic acid
PubChem CID113427832
Molecular FormulaC10H9F3N2O3S
Molecular Weight294.25 g/mol
Exact Mass294.03
IUPAC Name2-[2-oxo-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H9F3N2O3S/c11-10(12,13)7-2-1-6(3-14-7)15-8(16)4-19-5-9(17)18/h1-3H,4-5H2,(H,15,16)(H,17,18)
InChIKeyLAUKZEKZZDRUFO-UHFFFAOYSA-N
XLogP1.86
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]butanamide
CID 82810971
2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 113427691
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
2-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104569275
ethyl 4-oxo-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]butanoate
CID 82706361
2-[2-oxo-2-(pyrimidin-5-ylamino)ethyl]sulfanylacetic acid
CID 107587552
2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 114329026
2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 82706557
N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide
CID 115778116
3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]hexanamide
CID 82817087
N-[6-(trifluoromethyl)-3-pyridinyl]cyclopropanecarboxamide
CID 82707218
3-(4-formylpiperazin-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 56761469

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-oxo-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]sulfanylacetic acid (CID 113427832) is 2-[2-oxo-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-oxo-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-oxo-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]sulfanylacetic acid is O=C(O)CSCC(=O)Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-[2-oxo-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]sulfanylacetic acid?
The InChIKey is LAUKZEKZZDRUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3S/c11-10(12,13)7-2-1-6(3-14-7)15-8(16)4-19-5-9(17)18/h1-3H,4-5H2,(H,15,16)(H,17,18).
What are the key properties of 2-[2-oxo-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]sulfanylacetic acid?
2-[2-oxo-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]sulfanylacetic acid has a molecular weight of 294.25 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]ethyl]sulfanylacetic acid is sourced from PubChem (CID 113427832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).