6-[2-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one

C18H20N4O3S2 — CID 9292462

About 6-[2-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one

6-[2-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 9292462) has the molecular formula C18H20N4O3S2 and a molecular weight of 404.52 g/mol. Its IUPAC name is 6-[2-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-[2-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
• PubChem CID: 9292462
• Molecular Formula: C18H20N4O3S2
• Molecular Weight: 404.52 g/mol
• Exact Mass: 404.10
• IUPAC Name: 6-[2-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
• SMILES: O=C1CCc2cc(C(=O)CSc3nnc(NC[C@H]4CCCO4)s3)ccc2N1
• InChI: InChI=1S/C18H20N4O3S2/c23-15(12-3-5-14-11(8-12)4-6-16(24)20-14)10-26-18-22-21-17(27-18)19-9-13-2-1-7-25-13/h3,5,8,13H,1-2,4,6-7,9-10H2,(H,19,21)(H,20,24)/t13-/m1/s1
• InChIKey: XGGGOVANUSIRNB-CYBMUJFWSA-N
• XLogP: 2.99
• TPSA: 93.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.52
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one?

The IUPAC name of 6-[2-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one (CID 9292462) is 6-[2-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one.

What is the SMILES notation for 6-[2-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one?

The canonical SMILES for 6-[2-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(=O)CSc3nnc(NC[C@H]4CCCO4)s3)ccc2N1.

What is the InChIKey of 6-[2-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one?

The InChIKey is XGGGOVANUSIRNB-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N4O3S2/c23-15(12-3-5-14-11(8-12)4-6-16(24)20-14)10-26-18-22-21-17(27-18)19-9-13-2-1-7-25-13/h3,5,8,13H,1-2,4,6-7,9-10H2,(H,19,21)(H,20,24)/t13-/m1/s1.

What are the key properties of 6-[2-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one?

6-[2-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 404.52 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 9292462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).