[(2S,4S)-4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride

C17H29Cl2N5O2S — CID 67507493

IUPAC[(2S,4S)-4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride
SMILESCCc1nnc(C2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)o1.Cl.Cl
InChIInChI=1S/C17H27N5O2S.2ClH/c1-2-15-19-20-16(24-15)12-3-5-21(6-4-12)13-9-14(18-10-13)17(23)22-7-8-25-11-22;;/h12-14,18H,2-11H2,1H3;2*1H/t13-,14-;;/m0../s1
InChIKeyXETWOGKAUJWXBT-AXEKQOJOSA-N
MW438.43 g/mol
LogP1.92
Rot. Bonds4

About [(2S,4S)-4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride

[(2S,4S)-4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride (PubChem CID 67507493) has the molecular formula C17H29Cl2N5O2S and a molecular weight of 438.43 g/mol. Its IUPAC name is [(2S,4S)-4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[(2S,4S)-4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride
PubChem CID67507493
Molecular FormulaC17H29Cl2N5O2S
Molecular Weight438.43 g/mol
Exact Mass437.14
IUPAC Name[(2S,4S)-4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride
SMILESCCc1nnc(C2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)o1.Cl.Cl
InChIInChI=1S/C17H27N5O2S.2ClH/c1-2-15-19-20-16(24-15)12-3-5-21(6-4-12)13-9-14(18-10-13)17(23)22-7-8-25-11-22;;/h12-14,18H,2-11H2,1H3;2*1H/t13-,14-;;/m0../s1
InChIKeyXETWOGKAUJWXBT-AXEKQOJOSA-N
XLogP1.92
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl (2S,4S)-4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
CID 67506620
[(2S,4S)-4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
CID 67507494
3-methyl-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one;dihydrochloride
CID 67507744
3-methyl-5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3,4-oxadiazol-2-one
CID 67507745

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride?
The IUPAC name of [(2S,4S)-4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride (CID 67507493) is [(2S,4S)-4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride.
What is the SMILES notation for [(2S,4S)-4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride?
The canonical SMILES for [(2S,4S)-4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride is CCc1nnc(C2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)o1.Cl.Cl.
What is the InChIKey of [(2S,4S)-4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride?
The InChIKey is XETWOGKAUJWXBT-AXEKQOJOSA-N. The full InChI is InChI=1S/C17H27N5O2S.2ClH/c1-2-15-19-20-16(24-15)12-3-5-21(6-4-12)13-9-14(18-10-13)17(23)22-7-8-25-11-22;;/h12-14,18H,2-11H2,1H3;2*1H/t13-,14-;;/m0../s1.
What are the key properties of [(2S,4S)-4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride?
[(2S,4S)-4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride has a molecular weight of 438.43 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride is sourced from PubChem (CID 67507493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).