3-benzoyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide

C23H27N3O3S — CID 55509742

IUPAC3-benzoyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C23H27N3O3S/c1-24(15-18-7-9-20(10-8-18)25-11-13-29-14-12-25)23(28)21-16-30-17-26(21)22(27)19-5-3-2-4-6-19/h2-10,21H,11-17H2,1H3
InChIKeyQMSIZTURJCFZPN-UHFFFAOYSA-N
MW425.55 g/mol
LogP2.70
Rot. Bonds5

About 3-benzoyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide

3-benzoyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 55509742) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 3-benzoyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-benzoyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID55509742
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name3-benzoyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C23H27N3O3S/c1-24(15-18-7-9-20(10-8-18)25-11-13-29-14-12-25)23(28)21-16-30-17-26(21)22(27)19-5-3-2-4-6-19/h2-10,21H,11-17H2,1H3
InChIKeyQMSIZTURJCFZPN-UHFFFAOYSA-N
XLogP2.70
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-benzoyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide (CID 55509742) is 3-benzoyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-benzoyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-benzoyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CSCN1C(=O)c1ccccc1.
What is the InChIKey of 3-benzoyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is QMSIZTURJCFZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-24(15-18-7-9-20(10-8-18)25-11-13-29-14-12-25)23(28)21-16-30-17-26(21)22(27)19-5-3-2-4-6-19/h2-10,21H,11-17H2,1H3.
What are the key properties of 3-benzoyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
3-benzoyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 55509742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).