4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]benzenesulfonamide

C18H20N4O3S2 — CID 78877693

IUPAC4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN(Cc3csc(-c4ccco4)n3)CC2)cc1
InChIInChI=1S/C18H20N4O3S2/c19-27(23,24)16-5-3-15(4-6-16)22-9-7-21(8-10-22)12-14-13-26-18(20-14)17-2-1-11-25-17/h1-6,11,13H,7-10,12H2,(H2,19,23,24)
InChIKeyKCCWEYPWTSZHLY-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.37
Rot. Bonds5

About 4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]benzenesulfonamide

4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]benzenesulfonamide (PubChem CID 78877693) has the molecular formula C18H20N4O3S2 and a molecular weight of 404.52 g/mol. Its IUPAC name is 4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]benzenesulfonamide
PubChem CID78877693
Molecular FormulaC18H20N4O3S2
Molecular Weight404.52 g/mol
Exact Mass404.10
IUPAC Name4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN(Cc3csc(-c4ccco4)n3)CC2)cc1
InChIInChI=1S/C18H20N4O3S2/c19-27(23,24)16-5-3-15(4-6-16)22-9-7-21(8-10-22)12-14-13-26-18(20-14)17-2-1-11-25-17/h1-6,11,13H,7-10,12H2,(H2,19,23,24)
InChIKeyKCCWEYPWTSZHLY-UHFFFAOYSA-N
XLogP2.37
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]benzenesulfonamide with MolForge

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Related Compounds

2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetic acid
CID 43521719
3-[[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 134033856
2-(furan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 134033819
4-[4-(1,3,4-thiadiazol-2-ylmethyl)piperazin-1-yl]benzenesulfonamide
CID 146138395
(3R)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine;dihydrochloride
CID 119904967
2-(furan-2-yl)-4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazole
CID 134033891
(3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol
CID 32611074
2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]butan-1-ol
CID 111489708
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride
CID 119909924
4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 6456473
methyl 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylate
CID 60714594
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24664236

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]benzenesulfonamide (CID 78877693) is 4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2CCN(Cc3csc(-c4ccco4)n3)CC2)cc1.
What is the InChIKey of 4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]benzenesulfonamide?
The InChIKey is KCCWEYPWTSZHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S2/c19-27(23,24)16-5-3-15(4-6-16)22-9-7-21(8-10-22)12-14-13-26-18(20-14)17-2-1-11-25-17/h1-6,11,13H,7-10,12H2,(H2,19,23,24).
What are the key properties of 4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]benzenesulfonamide?
4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]benzenesulfonamide has a molecular weight of 404.52 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 78877693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).