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

C23H25ClFN3O3S — CID 4561757

IUPAC3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CSC(c2ccc(F)cc2)N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H25ClFN3O3S/c24-18-5-1-16(2-6-18)22(30)28-20(15-32-23(28)17-3-7-19(25)8-4-17)21(29)26-9-10-27-11-13-31-14-12-27/h1-8,20,23H,9-15H2,(H,26,29)
InChIKeyXCIXPISIFFEABE-UHFFFAOYSA-N
MW477.99 g/mol
LogP3.18
Rot. Bonds6

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

3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 4561757) has the molecular formula C23H25ClFN3O3S and a molecular weight of 477.99 g/mol. Its IUPAC name is 3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID4561757
Molecular FormulaC23H25ClFN3O3S
Molecular Weight477.99 g/mol
Exact Mass477.13
IUPAC Name3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CSC(c2ccc(F)cc2)N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H25ClFN3O3S/c24-18-5-1-16(2-6-18)22(30)28-20(15-32-23(28)17-3-7-19(25)8-4-17)21(29)26-9-10-27-11-13-31-14-12-27/h1-8,20,23H,9-15H2,(H,26,29)
InChIKeyXCIXPISIFFEABE-UHFFFAOYSA-N
XLogP3.18
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.99
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide (CID 4561757) is 3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide is O=C(NCCN1CCOCC1)C1CSC(c2ccc(F)cc2)N1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is XCIXPISIFFEABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN3O3S/c24-18-5-1-16(2-6-18)22(30)28-20(15-32-23(28)17-3-7-19(25)8-4-17)21(29)26-9-10-27-11-13-31-14-12-27/h1-8,20,23H,9-15H2,(H,26,29).
What are the key properties of 3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide?
3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 477.99 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 4561757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).