1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one

C16H23N5O3S — CID 155500964

About 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one (PubChem CID 155500964) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one
• PubChem CID: 155500964
• Molecular Formula: C16H23N5O3S
• Molecular Weight: 365.46 g/mol
• Exact Mass: 365.15
• IUPAC Name: 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one
• SMILES: CCc1nnc(N2CC(C(=O)N3CCOC4(CCNC4)C3)CC2=O)s1
• InChI: InChI=1S/C16H23N5O3S/c1-2-12-18-19-15(25-12)21-8-11(7-13(21)22)14(23)20-5-6-24-16(10-20)3-4-17-9-16/h11,17H,2-10H2,1H3
• InChIKey: FESYQEICMZRKBS-UHFFFAOYSA-N
• XLogP: 0.04
• TPSA: 87.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.46
LogP ≤ 5	0.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one?

The IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one (CID 155500964) is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one.

What is the SMILES notation for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one?

The canonical SMILES for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one is CCc1nnc(N2CC(C(=O)N3CCOC4(CCNC4)C3)CC2=O)s1.

What is the InChIKey of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one?

The InChIKey is FESYQEICMZRKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-2-12-18-19-15(25-12)21-8-11(7-13(21)22)14(23)20-5-6-24-16(10-20)3-4-17-9-16/h11,17H,2-10H2,1H3.

What are the key properties of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one?

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one has a molecular weight of 365.46 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 155500964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).