1,3-benzodioxol-5-yl-[2-(furan-2-yl)-1,3-thiazolidin-3-yl]methanone

C15H13NO4S — CID 5196917

IUPAC1,3-benzodioxol-5-yl-[2-(furan-2-yl)-1,3-thiazolidin-3-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCSC1c1ccco1
InChIInChI=1S/C15H13NO4S/c17-14(10-3-4-11-13(8-10)20-9-19-11)16-5-7-21-15(16)12-2-1-6-18-12/h1-4,6,8,15H,5,7,9H2
InChIKeySSQFFACQFZNYKP-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.90
Rot. Bonds2

About 1,3-benzodioxol-5-yl-[2-(furan-2-yl)-1,3-thiazolidin-3-yl]methanone

1,3-benzodioxol-5-yl-[2-(furan-2-yl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 5196917) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[2-(furan-2-yl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[2-(furan-2-yl)-1,3-thiazolidin-3-yl]methanone
PubChem CID5196917
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Name1,3-benzodioxol-5-yl-[2-(furan-2-yl)-1,3-thiazolidin-3-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCSC1c1ccco1
InChIInChI=1S/C15H13NO4S/c17-14(10-3-4-11-13(8-10)20-9-19-11)16-5-7-21-15(16)12-2-1-6-18-12/h1-4,6,8,15H,5,7,9H2
InChIKeySSQFFACQFZNYKP-UHFFFAOYSA-N
XLogP2.90
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-benzodioxol-5-yl-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]methanone
CID 1024177
[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone
CID 1024438
[(2S)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 7350041
[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 815703
1,3-benzodioxol-5-yl-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 5114658
[(2R)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 7249262
1,3-benzodioxol-5-yl-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7396899
[2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4166347
3-(1,3-benzodioxol-5-ylmethyl)-2-(furan-2-yl)-1,3-thiazolidin-4-one
CID 3860765
1-[(2S)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-3-phenylpropan-1-one
CID 7397516
1,3-benzodioxol-5-yl-[(7S)-7-phenyl-1,4-thiazepan-4-yl]methanone
CID 99903782
(2S)-2-(furan-2-yl)-N-(3-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7289070

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[2-(furan-2-yl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[2-(furan-2-yl)-1,3-thiazolidin-3-yl]methanone (CID 5196917) is 1,3-benzodioxol-5-yl-[2-(furan-2-yl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[2-(furan-2-yl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[2-(furan-2-yl)-1,3-thiazolidin-3-yl]methanone is O=C(c1ccc2c(c1)OCO2)N1CCSC1c1ccco1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[2-(furan-2-yl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is SSQFFACQFZNYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S/c17-14(10-3-4-11-13(8-10)20-9-19-11)16-5-7-21-15(16)12-2-1-6-18-12/h1-4,6,8,15H,5,7,9H2.
What are the key properties of 1,3-benzodioxol-5-yl-[2-(furan-2-yl)-1,3-thiazolidin-3-yl]methanone?
1,3-benzodioxol-5-yl-[2-(furan-2-yl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 303.34 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[2-(furan-2-yl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 5196917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).