3-[3-(3-fluorophenyl)prop-2-enoyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide

C20H19FN2O2S — CID 72693701

IUPAC3-[3-(3-fluorophenyl)prop-2-enoyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CSCN2C(=O)C=Cc2cccc(F)c2)c1
InChIInChI=1S/C20H19FN2O2S/c1-14-4-2-7-17(10-14)22-20(25)18-12-26-13-23(18)19(24)9-8-15-5-3-6-16(21)11-15/h2-11,18H,12-13H2,1H3,(H,22,25)
InChIKeyRDPRZIDUWXKTDE-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.69
Rot. Bonds4

About 3-[3-(3-fluorophenyl)prop-2-enoyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide

3-[3-(3-fluorophenyl)prop-2-enoyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 72693701) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[3-(3-fluorophenyl)prop-2-enoyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-[3-(3-fluorophenyl)prop-2-enoyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID72693701
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name3-[3-(3-fluorophenyl)prop-2-enoyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CSCN2C(=O)C=Cc2cccc(F)c2)c1
InChIInChI=1S/C20H19FN2O2S/c1-14-4-2-7-17(10-14)22-20(25)18-12-26-13-23(18)19(24)9-8-15-5-3-6-16(21)11-15/h2-11,18H,12-13H2,1H3,(H,22,25)
InChIKeyRDPRZIDUWXKTDE-UHFFFAOYSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4S)-N-(3-fluorophenyl)-3-[2-(furan-3-yl)acetyl]-1,3-thiazolidine-4-carboxamide
CID 99786132
3-[2-(furan-2-yl)acetyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 75384637
(4S)-N-(3-methylphenyl)-3-(6-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95303764
(4R)-N-(3-fluorophenyl)-3-(6-methylpyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95300193
(4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide
CID 124562005
N-(3,4-dimethylphenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 72685669
(4R)-3-(dimethylsulfamoyl)-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 95287154
N-[(4-fluorophenyl)methyl]-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 86809176
3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42744636
2-N-(3-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141073
N-(3,4-dimethylphenyl)-3-(3-methylbut-2-enoyl)-1,3-thiazolidine-4-carboxamide
CID 24715030
1-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-N-phenylpiperidine-4-carboxamide
CID 9051294

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluorophenyl)prop-2-enoyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-[3-(3-fluorophenyl)prop-2-enoyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide (CID 72693701) is 3-[3-(3-fluorophenyl)prop-2-enoyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-[3-(3-fluorophenyl)prop-2-enoyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-[3-(3-fluorophenyl)prop-2-enoyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide is Cc1cccc(NC(=O)C2CSCN2C(=O)C=Cc2cccc(F)c2)c1.
What is the InChIKey of 3-[3-(3-fluorophenyl)prop-2-enoyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is RDPRZIDUWXKTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-14-4-2-7-17(10-14)22-20(25)18-12-26-13-23(18)19(24)9-8-15-5-3-6-16(21)11-15/h2-11,18H,12-13H2,1H3,(H,22,25).
What are the key properties of 3-[3-(3-fluorophenyl)prop-2-enoyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide?
3-[3-(3-fluorophenyl)prop-2-enoyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluorophenyl)prop-2-enoyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 72693701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).