3-tert-butyl-1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methylurea

C17H24FN3O2S — CID 46137465

IUPAC3-tert-butyl-1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methylurea
SMILESCN(CCN1C(=O)CSC1c1ccc(F)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H24FN3O2S/c1-17(2,3)19-16(23)20(4)9-10-21-14(22)11-24-15(21)12-5-7-13(18)8-6-12/h5-8,15H,9-11H2,1-4H3,(H,19,23)
InChIKeyKXTZOLATIXZQBC-UHFFFAOYSA-N
MW353.46 g/mol
LogP2.84
Rot. Bonds4

About 3-tert-butyl-1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methylurea

3-tert-butyl-1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methylurea (PubChem CID 46137465) has the molecular formula C17H24FN3O2S and a molecular weight of 353.46 g/mol. Its IUPAC name is 3-tert-butyl-1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methylurea.

Molecular Properties

Compound Name3-tert-butyl-1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methylurea
PubChem CID46137465
Molecular FormulaC17H24FN3O2S
Molecular Weight353.46 g/mol
Exact Mass353.16
IUPAC Name3-tert-butyl-1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methylurea
SMILESCN(CCN1C(=O)CSC1c1ccc(F)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H24FN3O2S/c1-17(2,3)19-16(23)20(4)9-10-21-14(22)11-24-15(21)12-5-7-13(18)8-6-12/h5-8,15H,9-11H2,1-4H3,(H,19,23)
InChIKeyKXTZOLATIXZQBC-UHFFFAOYSA-N
XLogP2.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-tert-butyl-1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methylurea 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

2-(2-Fluorophenyl)-1,3-thiazolan-4-one
CID 2732088
N-benzyl-2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 4878898
[2-[[2-(Dimethylamino)-2-phenylethyl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 16312302
(4R)-N-Octadecyl-2-phenyl-4-thiazolidinecarboxamide
CID 11156218
(4R)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide
CID 11316635
Atcaa-1
CID 44433149
3-[3-(Dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 2872049
2-(2-Fluoro-phenyl)-3-(2-piperidin-1-yl-ethyl)-thiazolidin-4-one
CID 2881472
(4R)-N-[(Z)-octadec-8-enyl]-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 46231902
(4R)-N-[(E)-octadec-8-enyl]-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 46231968
3-[3-(Dimethylamino)propyl]-2-(3-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 49860519
2-(1,4-dioxo-2-phenyl-1,3-thiazolidin-3-yl)-N-octadecylacetamide
CID 10006337

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methylurea?
The IUPAC name of 3-tert-butyl-1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methylurea (CID 46137465) is 3-tert-butyl-1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methylurea.
What is the SMILES notation for 3-tert-butyl-1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methylurea?
The canonical SMILES for 3-tert-butyl-1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methylurea is CN(CCN1C(=O)CSC1c1ccc(F)cc1)C(=O)NC(C)(C)C.
What is the InChIKey of 3-tert-butyl-1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methylurea?
The InChIKey is KXTZOLATIXZQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2S/c1-17(2,3)19-16(23)20(4)9-10-21-14(22)11-24-15(21)12-5-7-13(18)8-6-12/h5-8,15H,9-11H2,1-4H3,(H,19,23).
What are the key properties of 3-tert-butyl-1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methylurea?
3-tert-butyl-1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methylurea has a molecular weight of 353.46 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methylurea is sourced from PubChem (CID 46137465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).