N-[5-[2-(2,6-dioxopiperidin-1-yl)ethylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide

C18H24N4O5S2 — CID 90531446

About N-[5-[2-(2,6-dioxopiperidin-1-yl)ethylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide

N-[5-[2-(2,6-dioxopiperidin-1-yl)ethylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide (PubChem CID 90531446) has the molecular formula C18H24N4O5S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[5-[2-(2,6-dioxopiperidin-1-yl)ethylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(2,6-dioxopiperidin-1-yl)ethylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
• PubChem CID: 90531446
• Molecular Formula: C18H24N4O5S2
• Molecular Weight: 440.55 g/mol
• Exact Mass: 440.12
• IUPAC Name: N-[5-[2-(2,6-dioxopiperidin-1-yl)ethylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
• SMILES: O=C(Nc1nc2c(s1)CN(S(=O)(=O)CCN1C(=O)CCCC1=O)CC2)C1CCC1
• InChI: InChI=1S/C18H24N4O5S2/c23-15-5-2-6-16(24)22(15)9-10-29(26,27)21-8-7-13-14(11-21)28-18(19-13)20-17(25)12-3-1-4-12/h12H,1-11H2,(H,19,20,25)
• InChIKey: VTMLBTUPXOAGKT-UHFFFAOYSA-N
• XLogP: 1.11
• TPSA: 116.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.55
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,6-dioxopiperidin-1-yl)ethylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide?

The IUPAC name of N-[5-[2-(2,6-dioxopiperidin-1-yl)ethylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide (CID 90531446) is N-[5-[2-(2,6-dioxopiperidin-1-yl)ethylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide.

What is the SMILES notation for N-[5-[2-(2,6-dioxopiperidin-1-yl)ethylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide?

The canonical SMILES for N-[5-[2-(2,6-dioxopiperidin-1-yl)ethylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide is O=C(Nc1nc2c(s1)CN(S(=O)(=O)CCN1C(=O)CCCC1=O)CC2)C1CCC1.

What is the InChIKey of N-[5-[2-(2,6-dioxopiperidin-1-yl)ethylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide?

The InChIKey is VTMLBTUPXOAGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S2/c23-15-5-2-6-16(24)22(15)9-10-29(26,27)21-8-7-13-14(11-21)28-18(19-13)20-17(25)12-3-1-4-12/h12H,1-11H2,(H,19,20,25).

What are the key properties of N-[5-[2-(2,6-dioxopiperidin-1-yl)ethylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide?

N-[5-[2-(2,6-dioxopiperidin-1-yl)ethylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide has a molecular weight of 440.55 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(2,6-dioxopiperidin-1-yl)ethylsulfonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 90531446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).