N-(furan-2-ylmethyl)-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]naphthalene-2-sulfonamide

C28H23N3O3S2 — CID 5049112

About N-(furan-2-ylmethyl)-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]naphthalene-2-sulfonamide

N-(furan-2-ylmethyl)-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]naphthalene-2-sulfonamide (PubChem CID 5049112) has the molecular formula C28H23N3O3S2 and a molecular weight of 513.64 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]naphthalene-2-sulfonamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]naphthalene-2-sulfonamide
• PubChem CID: 5049112
• Molecular Formula: C28H23N3O3S2
• Molecular Weight: 513.64 g/mol
• Exact Mass: 513.12
• IUPAC Name: N-(furan-2-ylmethyl)-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]naphthalene-2-sulfonamide
• SMILES: O=S(=O)(c1ccc2ccccc2c1)N(CCc1csc2nc(-c3ccccc3)cn12)Cc1ccco1
• InChI: InChI=1S/C28H23N3O3S2/c32-36(33,26-13-12-21-7-4-5-10-23(21)17-26)30(18-25-11-6-16-34-25)15-14-24-20-35-28-29-27(19-31(24)28)22-8-2-1-3-9-22/h1-13,16-17,19-20H,14-15,18H2
• InChIKey: URWMZQNWYXGOQD-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 67.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.64
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]naphthalene-2-sulfonamide?

The IUPAC name of N-(furan-2-ylmethyl)-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]naphthalene-2-sulfonamide (CID 5049112) is N-(furan-2-ylmethyl)-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]naphthalene-2-sulfonamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]naphthalene-2-sulfonamide?

The canonical SMILES for N-(furan-2-ylmethyl)-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]naphthalene-2-sulfonamide is O=S(=O)(c1ccc2ccccc2c1)N(CCc1csc2nc(-c3ccccc3)cn12)Cc1ccco1.

What is the InChIKey of N-(furan-2-ylmethyl)-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]naphthalene-2-sulfonamide?

The InChIKey is URWMZQNWYXGOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3S2/c32-36(33,26-13-12-21-7-4-5-10-23(21)17-26)30(18-25-11-6-16-34-25)15-14-24-20-35-28-29-27(19-31(24)28)22-8-2-1-3-9-22/h1-13,16-17,19-20H,14-15,18H2.

What are the key properties of N-(furan-2-ylmethyl)-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]naphthalene-2-sulfonamide?

N-(furan-2-ylmethyl)-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]naphthalene-2-sulfonamide has a molecular weight of 513.64 g/mol, XLogP of 6.24, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 5049112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).