2-(4-nitrophenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazolidine-3-carboxamide

C16H12F3N3O3S — CID 122329691

IUPAC2-(4-nitrophenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)N1CCSC1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12F3N3O3S/c17-11-5-6-12(14(19)13(11)18)20-16(23)21-7-8-26-15(21)9-1-3-10(4-2-9)22(24)25/h1-6,15H,7-8H2,(H,20,23)
InChIKeyCIGFBWUGOZIGGN-UHFFFAOYSA-N
MW383.35 g/mol
LogP4.29
Rot. Bonds3

About 2-(4-nitrophenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazolidine-3-carboxamide

2-(4-nitrophenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 122329691) has the molecular formula C16H12F3N3O3S and a molecular weight of 383.35 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID122329691
Molecular FormulaC16H12F3N3O3S
Molecular Weight383.35 g/mol
Exact Mass383.06
IUPAC Name2-(4-nitrophenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)N1CCSC1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H12F3N3O3S/c17-11-5-6-12(14(19)13(11)18)20-16(23)21-7-8-26-15(21)9-1-3-10(4-2-9)22(24)25/h1-6,15H,7-8H2,(H,20,23)
InChIKeyCIGFBWUGOZIGGN-UHFFFAOYSA-N
XLogP4.29
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-nitrophenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 4572857
(2S)-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7415351
3-(2,4-dichlorophenyl)-1-[(2S)-2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 95776814
2-(3-chlorophenyl)-N-(2,4-difluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 3328516
(2R)-N-(2,4-dichlorophenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7414393
(2R)-2-(2,5-dimethoxyphenyl)-N-(4-nitrophenyl)-1,3-thiazolidine-3-carboxamide
CID 7283013
(2S)-N-(3,4-difluorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028933
[2-(4-nitrophenyl)-1,3-thiazolidin-3-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 122329725
(2S)-N-(2,4-difluorophenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025606
3,5-dinitro-N-(2,3,4-trifluorophenyl)benzamide
CID 9095279
(2R)-2-(3-bromo-4-fluorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 99986077
2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide
CID 60594295

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 2-(4-nitrophenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazolidine-3-carboxamide (CID 122329691) is 2-(4-nitrophenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazolidine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1F)N1CCSC1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is CIGFBWUGOZIGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3S/c17-11-5-6-12(14(19)13(11)18)20-16(23)21-7-8-26-15(21)9-1-3-10(4-2-9)22(24)25/h1-6,15H,7-8H2,(H,20,23).
What are the key properties of 2-(4-nitrophenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazolidine-3-carboxamide?
2-(4-nitrophenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 383.35 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 122329691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).