(4-morpholin-4-ylpyrrolidin-2-yl)-(1,3-thiazolidin-3-yl)methanone;dihydrochloride

C12H23Cl2N3O2S — CID 22029008

IUPAC(4-morpholin-4-ylpyrrolidin-2-yl)-(1,3-thiazolidin-3-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(C1CC(N2CCOCC2)CN1)N1CCSC1
InChIInChI=1S/C12H21N3O2S.2ClH/c16-12(15-3-6-18-9-15)11-7-10(8-13-11)14-1-4-17-5-2-14;;/h10-11,13H,1-9H2;2*1H
InChIKeyNCTQYYFZJAWBPB-UHFFFAOYSA-N
MW344.31 g/mol
LogP0.43
Rot. Bonds2

About (4-morpholin-4-ylpyrrolidin-2-yl)-(1,3-thiazolidin-3-yl)methanone;dihydrochloride

(4-morpholin-4-ylpyrrolidin-2-yl)-(1,3-thiazolidin-3-yl)methanone;dihydrochloride (PubChem CID 22029008) has the molecular formula C12H23Cl2N3O2S and a molecular weight of 344.31 g/mol. Its IUPAC name is (4-morpholin-4-ylpyrrolidin-2-yl)-(1,3-thiazolidin-3-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(4-morpholin-4-ylpyrrolidin-2-yl)-(1,3-thiazolidin-3-yl)methanone;dihydrochloride
PubChem CID22029008
Molecular FormulaC12H23Cl2N3O2S
Molecular Weight344.31 g/mol
Exact Mass343.09
IUPAC Name(4-morpholin-4-ylpyrrolidin-2-yl)-(1,3-thiazolidin-3-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(C1CC(N2CCOCC2)CN1)N1CCSC1
InChIInChI=1S/C12H21N3O2S.2ClH/c16-12(15-3-6-18-9-15)11-7-10(8-13-11)14-1-4-17-5-2-14;;/h10-11,13H,1-9H2;2*1H
InChIKeyNCTQYYFZJAWBPB-UHFFFAOYSA-N
XLogP0.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-morpholin-4-ylpyrrolidin-2-yl)-(1,3-thiazolidin-3-yl)methanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylpyrrolidin-2-yl)-(1,3-thiazolidin-3-yl)methanone;dihydrochloride?
The IUPAC name of (4-morpholin-4-ylpyrrolidin-2-yl)-(1,3-thiazolidin-3-yl)methanone;dihydrochloride (CID 22029008) is (4-morpholin-4-ylpyrrolidin-2-yl)-(1,3-thiazolidin-3-yl)methanone;dihydrochloride.
What is the SMILES notation for (4-morpholin-4-ylpyrrolidin-2-yl)-(1,3-thiazolidin-3-yl)methanone;dihydrochloride?
The canonical SMILES for (4-morpholin-4-ylpyrrolidin-2-yl)-(1,3-thiazolidin-3-yl)methanone;dihydrochloride is Cl.Cl.O=C(C1CC(N2CCOCC2)CN1)N1CCSC1.
What is the InChIKey of (4-morpholin-4-ylpyrrolidin-2-yl)-(1,3-thiazolidin-3-yl)methanone;dihydrochloride?
The InChIKey is NCTQYYFZJAWBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S.2ClH/c16-12(15-3-6-18-9-15)11-7-10(8-13-11)14-1-4-17-5-2-14;;/h10-11,13H,1-9H2;2*1H.
What are the key properties of (4-morpholin-4-ylpyrrolidin-2-yl)-(1,3-thiazolidin-3-yl)methanone;dihydrochloride?
(4-morpholin-4-ylpyrrolidin-2-yl)-(1,3-thiazolidin-3-yl)methanone;dihydrochloride has a molecular weight of 344.31 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylpyrrolidin-2-yl)-(1,3-thiazolidin-3-yl)methanone;dihydrochloride is sourced from PubChem (CID 22029008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).