(4R)-3-(3-cyanobenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide

C18H14FN3O2S — CID 95236593

IUPAC(4R)-3-(3-cyanobenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
SMILESN#Cc1cccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C18H14FN3O2S/c19-14-6-1-2-7-15(14)21-17(23)16-10-25-11-22(16)18(24)13-5-3-4-12(8-13)9-20/h1-8,16H,10-11H2,(H,21,23)/t16-/m0/s1
InChIKeyBDERKEVOFBHDSF-INIZCTEOSA-N
MW355.39 g/mol
LogP2.85
Rot. Bonds3

About (4R)-3-(3-cyanobenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide

(4R)-3-(3-cyanobenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95236593) has the molecular formula C18H14FN3O2S and a molecular weight of 355.39 g/mol. Its IUPAC name is (4R)-3-(3-cyanobenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-(3-cyanobenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95236593
Molecular FormulaC18H14FN3O2S
Molecular Weight355.39 g/mol
Exact Mass355.08
IUPAC Name(4R)-3-(3-cyanobenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
SMILESN#Cc1cccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C18H14FN3O2S/c19-14-6-1-2-7-15(14)21-17(23)16-10-25-11-22(16)18(24)13-5-3-4-12(8-13)9-20/h1-8,16H,10-11H2,(H,21,23)/t16-/m0/s1
InChIKeyBDERKEVOFBHDSF-INIZCTEOSA-N
XLogP2.85
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethoxybenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42745754
3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42745326
3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 51330773
(4R)-3-(2-chloro-4-nitrobenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 95703211
3-(2-ethylbutanoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 4317382
(4R)-3-benzoyl-N-(2,5-dichlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 52716357
(4S)-N-(2-fluorophenyl)-3-(2-naphthalen-1-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 95154769
3-benzoyl-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3548133
(4R)-N-(2-fluorophenyl)-3-[2-(1H-pyrrol-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide
CID 97067644
(4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97310871
(2S)-1-(3-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51606131
(4R)-3-[2-(2,4-difluorophenoxy)acetyl]-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 95159673

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3-cyanobenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-(3-cyanobenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide (CID 95236593) is (4R)-3-(3-cyanobenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-(3-cyanobenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-(3-cyanobenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide is N#Cc1cccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2F)c1.
What is the InChIKey of (4R)-3-(3-cyanobenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is BDERKEVOFBHDSF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H14FN3O2S/c19-14-6-1-2-7-15(14)21-17(23)16-10-25-11-22(16)18(24)13-5-3-4-12(8-13)9-20/h1-8,16H,10-11H2,(H,21,23)/t16-/m0/s1.
What are the key properties of (4R)-3-(3-cyanobenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
(4R)-3-(3-cyanobenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(3-cyanobenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95236593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).