2-(1-benzofuran-2-yl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one

C18H17NO3S2 — CID 3702133

IUPAC2-(1-benzofuran-2-yl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cc3ccccc3o2)N1CCSCc1ccco1
InChIInChI=1S/C18H17NO3S2/c20-17-12-24-18(16-10-13-4-1-2-6-15(13)22-16)19(17)7-9-23-11-14-5-3-8-21-14/h1-6,8,10,18H,7,9,11-12H2
InChIKeyAMOVHLHRACJUFZ-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.53
Rot. Bonds6

About 2-(1-benzofuran-2-yl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one

2-(1-benzofuran-2-yl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one (PubChem CID 3702133) has the molecular formula C18H17NO3S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
PubChem CID3702133
Molecular FormulaC18H17NO3S2
Molecular Weight359.47 g/mol
Exact Mass359.06
IUPAC Name2-(1-benzofuran-2-yl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cc3ccccc3o2)N1CCSCc1ccco1
InChIInChI=1S/C18H17NO3S2/c20-17-12-24-18(16-10-13-4-1-2-6-15(13)22-16)19(17)7-9-23-11-14-5-3-8-21-14/h1-6,8,10,18H,7,9,11-12H2
InChIKeyAMOVHLHRACJUFZ-UHFFFAOYSA-N
XLogP4.53
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-benzofuran-2-yl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazinan-4-one
CID 3537745
2-(1-benzofuran-2-yl)-3-butyl-1,3-thiazolidin-4-one
CID 3614492
3-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one
CID 3875125
2-(2-ethoxyphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
CID 3861067
2-(2,5-dimethoxyphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
CID 3545454
(2R)-2-(furan-2-yl)-3-[2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 92530307
3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
CID 91576814
3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one
CID 4686422
3-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-thiazinan-4-one
CID 3717202
2-(1-benzofuran-2-yl)-3-(2-methylpropyl)-1,3-thiazinan-4-one
CID 3281882
3-ethyl-2-(furan-2-yl)-1,3-thiazolidin-4-one
CID 3800198
2-(1-benzofuran-2-yl)-3-(6-methoxy-3-pyridinyl)-1,3-thiazolidin-4-one
CID 4987872

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(1-benzofuran-2-yl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one (CID 3702133) is 2-(1-benzofuran-2-yl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(1-benzofuran-2-yl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one is O=C1CSC(c2cc3ccccc3o2)N1CCSCc1ccco1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one?
The InChIKey is AMOVHLHRACJUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S2/c20-17-12-24-18(16-10-13-4-1-2-6-15(13)22-16)19(17)7-9-23-11-14-5-3-8-21-14/h1-6,8,10,18H,7,9,11-12H2.
What are the key properties of 2-(1-benzofuran-2-yl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one?
2-(1-benzofuran-2-yl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one has a molecular weight of 359.47 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3702133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).