tert-butyl N-[1-(2-fluorophenyl)-3-oxo-3-(1,3-thiazolidin-3-yl)propyl]carbamate

C17H23FN2O3S — CID 57225793

IUPACtert-butyl N-[1-(2-fluorophenyl)-3-oxo-3-(1,3-thiazolidin-3-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CC(=O)N1CCSC1)c1ccccc1F
InChIInChI=1S/C17H23FN2O3S/c1-17(2,3)23-16(22)19-14(12-6-4-5-7-13(12)18)10-15(21)20-8-9-24-11-20/h4-7,14H,8-11H2,1-3H3,(H,19,22)
InChIKeyPQDTWLJAWZGWTM-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.31
Rot. Bonds4

About tert-butyl N-[1-(2-fluorophenyl)-3-oxo-3-(1,3-thiazolidin-3-yl)propyl]carbamate

tert-butyl N-[1-(2-fluorophenyl)-3-oxo-3-(1,3-thiazolidin-3-yl)propyl]carbamate (PubChem CID 57225793) has the molecular formula C17H23FN2O3S and a molecular weight of 354.45 g/mol. Its IUPAC name is tert-butyl N-[1-(2-fluorophenyl)-3-oxo-3-(1,3-thiazolidin-3-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-fluorophenyl)-3-oxo-3-(1,3-thiazolidin-3-yl)propyl]carbamate
PubChem CID57225793
Molecular FormulaC17H23FN2O3S
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC Nametert-butyl N-[1-(2-fluorophenyl)-3-oxo-3-(1,3-thiazolidin-3-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CC(=O)N1CCSC1)c1ccccc1F
InChIInChI=1S/C17H23FN2O3S/c1-17(2,3)23-16(22)19-14(12-6-4-5-7-13(12)18)10-15(21)20-8-9-24-11-20/h4-7,14H,8-11H2,1-3H3,(H,19,22)
InChIKeyPQDTWLJAWZGWTM-UHFFFAOYSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-(2-fluorophenyl)-3-oxo-3-(1,3-thiazolidin-3-yl)propyl]carbamate 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 tert-butyl N-[1-(2-fluorophenyl)-3-oxo-3-(1,3-thiazolidin-3-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-fluorophenyl)-3-oxo-3-(1,3-thiazolidin-3-yl)propyl]carbamate (CID 57225793) is tert-butyl N-[1-(2-fluorophenyl)-3-oxo-3-(1,3-thiazolidin-3-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-fluorophenyl)-3-oxo-3-(1,3-thiazolidin-3-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-fluorophenyl)-3-oxo-3-(1,3-thiazolidin-3-yl)propyl]carbamate is CC(C)(C)OC(=O)NC(CC(=O)N1CCSC1)c1ccccc1F.
What is the InChIKey of tert-butyl N-[1-(2-fluorophenyl)-3-oxo-3-(1,3-thiazolidin-3-yl)propyl]carbamate?
The InChIKey is PQDTWLJAWZGWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3S/c1-17(2,3)23-16(22)19-14(12-6-4-5-7-13(12)18)10-15(21)20-8-9-24-11-20/h4-7,14H,8-11H2,1-3H3,(H,19,22).
What are the key properties of tert-butyl N-[1-(2-fluorophenyl)-3-oxo-3-(1,3-thiazolidin-3-yl)propyl]carbamate?
tert-butyl N-[1-(2-fluorophenyl)-3-oxo-3-(1,3-thiazolidin-3-yl)propyl]carbamate has a molecular weight of 354.45 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-fluorophenyl)-3-oxo-3-(1,3-thiazolidin-3-yl)propyl]carbamate is sourced from PubChem (CID 57225793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).