N-benzyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide

C24H20ClFN2O2S — CID 42748496

IUPACN-benzyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CSC(c2cccc(F)c2)N1C(=O)c1ccccc1Cl
InChIInChI=1S/C24H20ClFN2O2S/c25-20-12-5-4-11-19(20)23(30)28-21(22(29)27-14-16-7-2-1-3-8-16)15-31-24(28)17-9-6-10-18(26)13-17/h1-13,21,24H,14-15H2,(H,27,29)
InChIKeyFCMYYAMZPNDLKF-UHFFFAOYSA-N
MW454.95 g/mol
LogP5.05
Rot. Bonds5

About N-benzyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide

N-benzyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42748496) has the molecular formula C24H20ClFN2O2S and a molecular weight of 454.95 g/mol. Its IUPAC name is N-benzyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42748496
Molecular FormulaC24H20ClFN2O2S
Molecular Weight454.95 g/mol
Exact Mass454.09
IUPAC NameN-benzyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CSC(c2cccc(F)c2)N1C(=O)c1ccccc1Cl
InChIInChI=1S/C24H20ClFN2O2S/c25-20-12-5-4-11-19(20)23(30)28-21(22(29)27-14-16-7-2-1-3-8-16)15-31-24(28)17-9-6-10-18(26)13-17/h1-13,21,24H,14-15H2,(H,27,29)
InChIKeyFCMYYAMZPNDLKF-UHFFFAOYSA-N
XLogP5.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.95
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-N-butyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 7288424
3-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42745200
3-benzoyl-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42748301
(2R,4R)-3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-1,3-thiazolidine-4-carboxamide
CID 7215999
3-benzoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42748298
N-benzyl-3-(2-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 42744445
methyl (2R,4S)-3-(2-chlorobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 1061757
methyl (2R,4R)-3-(2-chlorobenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate
CID 1061758
(2S,4S)-3-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 93097559
2-(3-fluorophenyl)-3-propanoyl-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42748564
3-(2-chlorobenzoyl)-N-(pyridin-3-ylmethyl)-2-thiophen-2-yl-1,3-thiazolidine-4-carboxamide
CID 42744185
3-(4-chlorobenzoyl)-2-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 4542964

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-benzyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide (CID 42748496) is N-benzyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-benzyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-benzyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide is O=C(NCc1ccccc1)C1CSC(c2cccc(F)c2)N1C(=O)c1ccccc1Cl.
What is the InChIKey of N-benzyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is FCMYYAMZPNDLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN2O2S/c25-20-12-5-4-11-19(20)23(30)28-21(22(29)27-14-16-7-2-1-3-8-16)15-31-24(28)17-9-6-10-18(26)13-17/h1-13,21,24H,14-15H2,(H,27,29).
What are the key properties of N-benzyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide?
N-benzyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 454.95 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42748496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).