N-ethyl-4-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide

C19H25F3N4O2S — CID 46137479

IUPACN-ethyl-4-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CCN2C(=O)CSC2c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H25F3N4O2S/c1-2-23-18(28)25-10-7-24(8-11-25)9-12-26-16(27)13-29-17(26)14-3-5-15(6-4-14)19(20,21)22/h3-6,17H,2,7-13H2,1H3,(H,23,28)
InChIKeyMNXVKWNPQWGKFY-UHFFFAOYSA-N
MW430.50 g/mol
LogP2.63
Rot. Bonds5

About N-ethyl-4-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide

N-ethyl-4-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide (PubChem CID 46137479) has the molecular formula C19H25F3N4O2S and a molecular weight of 430.50 g/mol. Its IUPAC name is N-ethyl-4-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide
PubChem CID46137479
Molecular FormulaC19H25F3N4O2S
Molecular Weight430.50 g/mol
Exact Mass430.17
IUPAC NameN-ethyl-4-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CCN2C(=O)CSC2c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H25F3N4O2S/c1-2-23-18(28)25-10-7-24(8-11-25)9-12-26-16(27)13-29-17(26)14-3-5-15(6-4-14)19(20,21)22/h3-6,17H,2,7-13H2,1H3,(H,23,28)
InChIKeyMNXVKWNPQWGKFY-UHFFFAOYSA-N
XLogP2.63
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-4-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide (CID 46137479) is N-ethyl-4-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide is CCNC(=O)N1CCN(CCN2C(=O)CSC2c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-ethyl-4-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide?
The InChIKey is MNXVKWNPQWGKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4O2S/c1-2-23-18(28)25-10-7-24(8-11-25)9-12-26-16(27)13-29-17(26)14-3-5-15(6-4-14)19(20,21)22/h3-6,17H,2,7-13H2,1H3,(H,23,28).
What are the key properties of N-ethyl-4-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide?
N-ethyl-4-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide has a molecular weight of 430.50 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 46137479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).