5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride

C15H25Cl2N5O3S — CID 67506116

IUPAC5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride
SMILESCl.Cl.O=C([C@@H]1C[C@H](N2CCC(c3n[nH]c(=O)o3)CC2)CN1)N1CCSC1
InChIInChI=1S/C15H23N5O3S.2ClH/c21-14(20-5-6-24-9-20)12-7-11(8-16-12)19-3-1-10(2-4-19)13-17-18-15(22)23-13;;/h10-12,16H,1-9H2,(H,18,22);2*1H/t11-,12-;;/m0../s1
InChIKeyRGEOXPHJBWNTAY-AQEKLAMFSA-N
MW426.37 g/mol
LogP0.65
Rot. Bonds3

About 5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride

5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride (PubChem CID 67506116) has the molecular formula C15H25Cl2N5O3S and a molecular weight of 426.37 g/mol. Its IUPAC name is 5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride.

Molecular Properties

Compound Name5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride
PubChem CID67506116
Molecular FormulaC15H25Cl2N5O3S
Molecular Weight426.37 g/mol
Exact Mass425.11
IUPAC Name5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride
SMILESCl.Cl.O=C([C@@H]1C[C@H](N2CCC(c3n[nH]c(=O)o3)CC2)CN1)N1CCSC1
InChIInChI=1S/C15H23N5O3S.2ClH/c21-14(20-5-6-24-9-20)12-7-11(8-16-12)19-3-1-10(2-4-19)13-17-18-15(22)23-13;;/h10-12,16H,1-9H2,(H,18,22);2*1H/t11-,12-;;/m0../s1
InChIKeyRGEOXPHJBWNTAY-AQEKLAMFSA-N
XLogP0.65
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.37
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride?
The IUPAC name of 5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride (CID 67506116) is 5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride.
What is the SMILES notation for 5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride?
The canonical SMILES for 5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride is Cl.Cl.O=C([C@@H]1C[C@H](N2CCC(c3n[nH]c(=O)o3)CC2)CN1)N1CCSC1.
What is the InChIKey of 5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride?
The InChIKey is RGEOXPHJBWNTAY-AQEKLAMFSA-N. The full InChI is InChI=1S/C15H23N5O3S.2ClH/c21-14(20-5-6-24-9-20)12-7-11(8-16-12)19-3-1-10(2-4-19)13-17-18-15(22)23-13;;/h10-12,16H,1-9H2,(H,18,22);2*1H/t11-,12-;;/m0../s1.
What are the key properties of 5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride?
5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride has a molecular weight of 426.37 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one;dihydrochloride is sourced from PubChem (CID 67506116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).