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

C17H27N5O2S — CID 67507494

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
SMILESCCc1nnc(C2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)o1
InChIInChI=1S/C17H27N5O2S/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/t13-,14-/m0/s1
InChIKeyPJQOEBAPNRZUAS-KBPBESRZSA-N
MW365.50 g/mol
LogP1.07
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

[(2S,4S)-4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone (PubChem CID 67507494) has the molecular formula C17H27N5O2S and a molecular weight of 365.50 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.

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
PubChem CID67507494
Molecular FormulaC17H27N5O2S
Molecular Weight365.50 g/mol
Exact Mass365.19
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
SMILESCCc1nnc(C2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)o1
InChIInChI=1S/C17H27N5O2S/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/t13-,14-/m0/s1
InChIKeyPJQOEBAPNRZUAS-KBPBESRZSA-N
XLogP1.07
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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?
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 (CID 67507494) 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.
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?
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 is CCc1nnc(C2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)o1.
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?
The InChIKey is PJQOEBAPNRZUAS-KBPBESRZSA-N. The full InChI is InChI=1S/C17H27N5O2S/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/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?
[(2S,4S)-4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone has a molecular weight of 365.50 g/mol, XLogP of 1.07, 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 is sourced from PubChem (CID 67507494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).