(4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide

C17H23N3O3S — CID 809655

IUPAC(4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)[C@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C17H23N3O3S/c21-16(18-6-7-19-8-10-23-11-9-19)15-12-24-13-20(15)17(22)14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,18,21)/t15-/m1/s1
InChIKeyFRFIXERNGKXEAF-OAHLLOKOSA-N
MW349.46 g/mol
LogP0.65
Rot. Bonds5

About (4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide

(4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 809655) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is (4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID809655
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name(4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)[C@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C17H23N3O3S/c21-16(18-6-7-19-8-10-23-11-9-19)15-12-24-13-20(15)17(22)14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,18,21)/t15-/m1/s1
InChIKeyFRFIXERNGKXEAF-OAHLLOKOSA-N
XLogP0.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]benzoate
CID 55515178
4-benzoyl-N-(2-morpholin-4-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 46110761
3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831309
N-(2-morpholin-4-ylethyl)-2-oxo-2-phenylacetamide
CID 94274550
N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47717787
(4R)-3-benzoyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 55938539
(4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide
CID 94608808
N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 2987060
(Z)-N-(2-morpholin-4-ylethyl)-2,3-diphenylprop-2-enamide
CID 890168
(3S)-2-acetyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95152790
3-benzoyl-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55509742
N-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844704

Frequently Asked Questions

What is the IUPAC name of (4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide (CID 809655) is (4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide is O=C(NCCN1CCOCC1)[C@H]1CSCN1C(=O)c1ccccc1.
What is the InChIKey of (4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is FRFIXERNGKXEAF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3O3S/c21-16(18-6-7-19-8-10-23-11-9-19)15-12-24-13-20(15)17(22)14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,18,21)/t15-/m1/s1.
What are the key properties of (4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide?
(4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 809655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).