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

C16H27Cl2N5O3S — CID 67507744

About 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

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 (PubChem CID 67507744) has the molecular formula C16H27Cl2N5O3S and a molecular weight of 440.40 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 67507744
• Molecular Formula: C16H27Cl2N5O3S
• Molecular Weight: 440.40 g/mol
• Exact Mass: 439.12
• IUPAC Name: 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
• SMILES: Cl.Cl.Cn1nc(C2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)oc1=O
• InChI: InChI=1S/C16H25N5O3S.2ClH/c1-19-16(23)24-14(18-19)11-2-4-20(5-3-11)12-8-13(17-9-12)15(22)21-6-7-25-10-21;;/h11-13,17H,2-10H2,1H3;2*1H/t12-,13-;;/m0../s1
• InChIKey: DACSQLAHQXLILC-NJHZPMQHSA-N
• XLogP: 0.66
• TPSA: 83.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.40
LogP ≤ 5	0.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cl.Cl.Cn1nc(C2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)oc1=O.

What is the InChIKey of 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?

The InChIKey is DACSQLAHQXLILC-NJHZPMQHSA-N. The full InChI is InChI=1S/C16H25N5O3S.2ClH/c1-19-16(23)24-14(18-19)11-2-4-20(5-3-11)12-8-13(17-9-12)15(22)21-6-7-25-10-21;;/h11-13,17H,2-10H2,1H3;2*1H/t12-,13-;;/m0../s1.

What are the key properties of 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?

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 has a molecular weight of 440.40 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 67507744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).