N-cyclopropyl-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide

C16H17F3N2O2S — CID 42814955

IUPACN-cyclopropyl-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1C(=O)CSC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H17F3N2O2S/c1-9(14(23)20-12-6-7-12)21-13(22)8-24-15(21)10-2-4-11(5-3-10)16(17,18)19/h2-5,9,12,15H,6-8H2,1H3,(H,20,23)
InChIKeyYUHXLOSTWXXJGE-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.95
Rot. Bonds4

About N-cyclopropyl-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide

N-cyclopropyl-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide (PubChem CID 42814955) has the molecular formula C16H17F3N2O2S and a molecular weight of 358.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide
PubChem CID42814955
Molecular FormulaC16H17F3N2O2S
Molecular Weight358.39 g/mol
Exact Mass358.10
IUPAC NameN-cyclopropyl-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1C(=O)CSC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H17F3N2O2S/c1-9(14(23)20-12-6-7-12)21-13(22)8-24-15(21)10-2-4-11(5-3-10)16(17,18)19/h2-5,9,12,15H,6-8H2,1H3,(H,20,23)
InChIKeyYUHXLOSTWXXJGE-UHFFFAOYSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanoic acid
CID 42795735
N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide
CID 42814953
3-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 2826058
N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
CID 42816187
N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methylpentanamide
CID 42814985
(2S)-2-(4-aminophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one
CID 129387522
2,2-dimethyl-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]propanamide
CID 93126889
(2R)-N-cyclopropyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 8710306
N-[4-[4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 42807204
N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]cyclopentanecarboxamide
CID 93126935
N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide
CID 42815190
(3S)-3,5,5-trimethyl-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]hexanamide
CID 93126918

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide (CID 42814955) is N-cyclopropyl-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide is CC(C(=O)NC1CC1)N1C(=O)CSC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-cyclopropyl-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide?
The InChIKey is YUHXLOSTWXXJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2S/c1-9(14(23)20-12-6-7-12)21-13(22)8-24-15(21)10-2-4-11(5-3-10)16(17,18)19/h2-5,9,12,15H,6-8H2,1H3,(H,20,23).
What are the key properties of N-cyclopropyl-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide?
N-cyclopropyl-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide has a molecular weight of 358.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide is sourced from PubChem (CID 42814955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).