[(2S,4S)-3-(4-chlorobenzoyl)-2-ethyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone

C17H21ClN2O3S — CID 1063036

IUPAC[(2S,4S)-3-(4-chlorobenzoyl)-2-ethyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone
SMILESCC[C@@H]1SC[C@H](C(=O)N2CCOCC2)N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O3S/c1-2-15-20(16(21)12-3-5-13(18)6-4-12)14(11-24-15)17(22)19-7-9-23-10-8-19/h3-6,14-15H,2,7-11H2,1H3/t14-,15+/m1/s1
InChIKeyYETRPERSXVUSIR-CABCVRRESA-N
MW368.89 g/mol
LogP2.49
Rot. Bonds3

About [(2S,4S)-3-(4-chlorobenzoyl)-2-ethyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone

[(2S,4S)-3-(4-chlorobenzoyl)-2-ethyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 1063036) has the molecular formula C17H21ClN2O3S and a molecular weight of 368.89 g/mol. Its IUPAC name is [(2S,4S)-3-(4-chlorobenzoyl)-2-ethyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-3-(4-chlorobenzoyl)-2-ethyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone
PubChem CID1063036
Molecular FormulaC17H21ClN2O3S
Molecular Weight368.89 g/mol
Exact Mass368.10
IUPAC Name[(2S,4S)-3-(4-chlorobenzoyl)-2-ethyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone
SMILESCC[C@@H]1SC[C@H](C(=O)N2CCOCC2)N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O3S/c1-2-15-20(16(21)12-3-5-13(18)6-4-12)14(11-24-15)17(22)19-7-9-23-10-8-19/h3-6,14-15H,2,7-11H2,1H3/t14-,15+/m1/s1
InChIKeyYETRPERSXVUSIR-CABCVRRESA-N
XLogP2.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-3-(4-chlorobenzoyl)-2-ethyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4S)-3-(4-chlorobenzoyl)-2-ethyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone (CID 1063036) is [(2S,4S)-3-(4-chlorobenzoyl)-2-ethyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4S)-3-(4-chlorobenzoyl)-2-ethyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4S)-3-(4-chlorobenzoyl)-2-ethyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone is CC[C@@H]1SC[C@H](C(=O)N2CCOCC2)N1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of [(2S,4S)-3-(4-chlorobenzoyl)-2-ethyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is YETRPERSXVUSIR-CABCVRRESA-N. The full InChI is InChI=1S/C17H21ClN2O3S/c1-2-15-20(16(21)12-3-5-13(18)6-4-12)14(11-24-15)17(22)19-7-9-23-10-8-19/h3-6,14-15H,2,7-11H2,1H3/t14-,15+/m1/s1.
What are the key properties of [(2S,4S)-3-(4-chlorobenzoyl)-2-ethyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone?
[(2S,4S)-3-(4-chlorobenzoyl)-2-ethyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 368.89 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-3-(4-chlorobenzoyl)-2-ethyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1063036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).