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

C12H23Cl2N3O2S — CID 67506961

IUPAC[(2S,4S)-4-morpholin-4-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C([C@@H]1C[C@H](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/t10-,11-;;/m0../s1
InChIKeyNCTQYYFZJAWBPB-ULEGLUPFSA-N
MW344.31 g/mol
LogP0.43
Rot. Bonds2

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

[(2S,4S)-4-morpholin-4-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride (PubChem CID 67506961) has the molecular formula C12H23Cl2N3O2S and a molecular weight of 344.31 g/mol. Its IUPAC name is [(2S,4S)-4-morpholin-4-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[(2S,4S)-4-morpholin-4-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride
PubChem CID67506961
Molecular FormulaC12H23Cl2N3O2S
Molecular Weight344.31 g/mol
Exact Mass343.09
IUPAC Name[(2S,4S)-4-morpholin-4-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C([C@@H]1C[C@H](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/t10-,11-;;/m0../s1
InChIKeyNCTQYYFZJAWBPB-ULEGLUPFSA-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

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Related Compounds

((2S,4S)-4-(piperidin-1-yl)pyrrolidin-2-yl)(thiazolidin-3-yl)methanone
CID 44439325
((2S,4S)-4-morpholinopyrrolidin-2-yl)(thiazolidin-3-yl)methanone
CID 44439326
(4-Piperidin-1-ylpyrrolidin-2-yl)-(1,3-thiazolidin-3-yl)methanone;dihydrochloride
CID 22028801
(4-Morpholin-4-ylpyrrolidin-2-yl)-(1,3-thiazolidin-3-yl)methanone;dihydrochloride
CID 22029008
N-(3-Pyroglutamyl-thiazolidine-4-carbonyl)morpholine
CID 53974378
Morpholin-4-yl-(3-sulfanylpyrrolidin-2-yl)methanone
CID 57194011
[(2S,4S)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;trihydrochloride
CID 67506457
[(2S,4S)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
CID 67506458
methyl 4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxylate;dihydrochloride
CID 67506724
methyl 4-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperazine-1-carboxylate
CID 67506725
[(2S,4S)-4-(4-hydroxypiperidin-1-yl)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;trihydrochloride
CID 67507152
[(2S,4S)-4-piperidin-1-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride
CID 67507252

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-morpholin-4-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride?
The IUPAC name of [(2S,4S)-4-morpholin-4-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride (CID 67506961) is [(2S,4S)-4-morpholin-4-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride.
What is the SMILES notation for [(2S,4S)-4-morpholin-4-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride?
The canonical SMILES for [(2S,4S)-4-morpholin-4-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride is Cl.Cl.O=C([C@@H]1C[C@H](N2CCOCC2)CN1)N1CCSC1.
What is the InChIKey of [(2S,4S)-4-morpholin-4-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride?
The InChIKey is NCTQYYFZJAWBPB-ULEGLUPFSA-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/t10-,11-;;/m0../s1.
What are the key properties of [(2S,4S)-4-morpholin-4-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride?
[(2S,4S)-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 [(2S,4S)-4-morpholin-4-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride is sourced from PubChem (CID 67506961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).