9-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C16H21N5O4S — CID 162636347

About 9-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 162636347) has the molecular formula C16H21N5O4S and a molecular weight of 379.44 g/mol. Its IUPAC name is 9-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 9-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 162636347
• Molecular Formula: C16H21N5O4S
• Molecular Weight: 379.44 g/mol
• Exact Mass: 379.13
• IUPAC Name: 9-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1nnc(N2CC(C(=O)N3CCC4(CC3)CNC(=O)CO4)CC2=O)s1
• InChI: InChI=1S/C16H21N5O4S/c1-10-18-19-15(26-10)21-7-11(6-13(21)23)14(24)20-4-2-16(3-5-20)9-17-12(22)8-25-16/h11H,2-9H2,1H3,(H,17,22)
• InChIKey: CZYGPVKXFDWTMQ-UHFFFAOYSA-N
• XLogP: -0.29
• TPSA: 104.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.44
LogP ≤ 5	-0.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 9-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 162636347) is 9-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 9-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 9-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cc1nnc(N2CC(C(=O)N3CCC4(CC3)CNC(=O)CO4)CC2=O)s1.

What is the InChIKey of 9-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is CZYGPVKXFDWTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4S/c1-10-18-19-15(26-10)21-7-11(6-13(21)23)14(24)20-4-2-16(3-5-20)9-17-12(22)8-25-16/h11H,2-9H2,1H3,(H,17,22).

What are the key properties of 9-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?

9-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 379.44 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 162636347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).