(4R)-N-(2-fluorophenyl)-3-[2-(1H-pyrrol-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide

C16H16FN3O2S — CID 97067644

IUPAC(4R)-N-(2-fluorophenyl)-3-[2-(1H-pyrrol-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccccc1F)[C@@H]1CSCN1C(=O)Cc1ccc[nH]1
InChIInChI=1S/C16H16FN3O2S/c17-12-5-1-2-6-13(12)19-16(22)14-9-23-10-20(14)15(21)8-11-4-3-7-18-11/h1-7,14,18H,8-10H2,(H,19,22)/t14-/m0/s1
InChIKeyGFPXMGYCZJVDBE-AWEZNQCLSA-N
MW333.39 g/mol
LogP2.24
Rot. Bonds4

About (4R)-N-(2-fluorophenyl)-3-[2-(1H-pyrrol-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide

(4R)-N-(2-fluorophenyl)-3-[2-(1H-pyrrol-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 97067644) has the molecular formula C16H16FN3O2S and a molecular weight of 333.39 g/mol. Its IUPAC name is (4R)-N-(2-fluorophenyl)-3-[2-(1H-pyrrol-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(2-fluorophenyl)-3-[2-(1H-pyrrol-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide
PubChem CID97067644
Molecular FormulaC16H16FN3O2S
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC Name(4R)-N-(2-fluorophenyl)-3-[2-(1H-pyrrol-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccccc1F)[C@@H]1CSCN1C(=O)Cc1ccc[nH]1
InChIInChI=1S/C16H16FN3O2S/c17-12-5-1-2-6-13(12)19-16(22)14-9-23-10-20(14)15(21)8-11-4-3-7-18-11/h1-7,14,18H,8-10H2,(H,19,22)/t14-/m0/s1
InChIKeyGFPXMGYCZJVDBE-AWEZNQCLSA-N
XLogP2.24
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-N-(2-fluorophenyl)-3-[2-(1H-pyrrol-2-yl)acetyl]-1,3-thiazolidine-4-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

(4S)-N-(2-fluorophenyl)-3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 95154769
3-(2-ethylbutanoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 4317382
(4R)-3-[2-(2,4-difluorophenoxy)acetyl]-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 95159673
3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42745326
3-(3,5-dimethoxybenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42745754
(4R)-3-(3-cyanobenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 95236593
(4R)-3-(2-chloro-4-nitrobenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 95703211
3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 51330773
3-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 72685702
3-benzoyl-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3548133
(4S)-N-tert-butyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxamide
CID 95206426
(4S)-N-(3-fluorophenyl)-3-[2-(furan-3-yl)acetyl]-1,3-thiazolidine-4-carboxamide
CID 99786132

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(2-fluorophenyl)-3-[2-(1H-pyrrol-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-(2-fluorophenyl)-3-[2-(1H-pyrrol-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide (CID 97067644) is (4R)-N-(2-fluorophenyl)-3-[2-(1H-pyrrol-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-(2-fluorophenyl)-3-[2-(1H-pyrrol-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-(2-fluorophenyl)-3-[2-(1H-pyrrol-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide is O=C(Nc1ccccc1F)[C@@H]1CSCN1C(=O)Cc1ccc[nH]1.
What is the InChIKey of (4R)-N-(2-fluorophenyl)-3-[2-(1H-pyrrol-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is GFPXMGYCZJVDBE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16FN3O2S/c17-12-5-1-2-6-13(12)19-16(22)14-9-23-10-20(14)15(21)8-11-4-3-7-18-11/h1-7,14,18H,8-10H2,(H,19,22)/t14-/m0/s1.
What are the key properties of (4R)-N-(2-fluorophenyl)-3-[2-(1H-pyrrol-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide?
(4R)-N-(2-fluorophenyl)-3-[2-(1H-pyrrol-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(2-fluorophenyl)-3-[2-(1H-pyrrol-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 97067644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).