N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]quinoline-8-sulfonamide

C31H24N4O3S2 — CID 5075068

IUPACN-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]quinoline-8-sulfonamide
SMILESO=S(=O)(c1cccc2cccnc12)N(CCc1csc2nc(-c3ccc4ccccc4c3)cn12)Cc1ccco1
InChIInChI=1S/C31H24N4O3S2/c36-40(37,29-11-3-8-23-9-4-15-32-30(23)29)34(19-27-10-5-17-38-27)16-14-26-21-39-31-33-28(20-35(26)31)25-13-12-22-6-1-2-7-24(22)18-25/h1-13,15,17-18,20-21H,14,16,19H2
InChIKeyAVBWOFLIRUAGFZ-UHFFFAOYSA-N
MW564.69 g/mol
LogP6.79
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]quinoline-8-sulfonamide

N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]quinoline-8-sulfonamide (PubChem CID 5075068) has the molecular formula C31H24N4O3S2 and a molecular weight of 564.69 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]quinoline-8-sulfonamide
PubChem CID5075068
Molecular FormulaC31H24N4O3S2
Molecular Weight564.69 g/mol
Exact Mass564.13
IUPAC NameN-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]quinoline-8-sulfonamide
SMILESO=S(=O)(c1cccc2cccnc12)N(CCc1csc2nc(-c3ccc4ccccc4c3)cn12)Cc1ccco1
InChIInChI=1S/C31H24N4O3S2/c36-40(37,29-11-3-8-23-9-4-15-32-30(23)29)34(19-27-10-5-17-38-27)16-14-26-21-39-31-33-28(20-35(26)31)25-13-12-22-6-1-2-7-24(22)18-25/h1-13,15,17-18,20-21H,14,16,19H2
InChIKeyAVBWOFLIRUAGFZ-UHFFFAOYSA-N
XLogP6.79
TPSA80.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]quinoline-8-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]quinoline-8-sulfonamide (CID 5075068) is N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]quinoline-8-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]quinoline-8-sulfonamide is O=S(=O)(c1cccc2cccnc12)N(CCc1csc2nc(-c3ccc4ccccc4c3)cn12)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]quinoline-8-sulfonamide?
The InChIKey is AVBWOFLIRUAGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N4O3S2/c36-40(37,29-11-3-8-23-9-4-15-32-30(23)29)34(19-27-10-5-17-38-27)16-14-26-21-39-31-33-28(20-35(26)31)25-13-12-22-6-1-2-7-24(22)18-25/h1-13,15,17-18,20-21H,14,16,19H2.
What are the key properties of N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]quinoline-8-sulfonamide?
N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]quinoline-8-sulfonamide has a molecular weight of 564.69 g/mol, XLogP of 6.79, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]quinoline-8-sulfonamide is sourced from PubChem (CID 5075068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).