1,3-benzodioxol-5-yl-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]methanone

C19H17NO5S — CID 1024177

IUPAC1,3-benzodioxol-5-yl-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCS[C@@H]1c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H17NO5S/c21-18(12-1-3-15-17(9-12)25-11-24-15)20-5-8-26-19(20)13-2-4-14-16(10-13)23-7-6-22-14/h1-4,9-10,19H,5-8,11H2/t19-/m1/s1
InChIKeyUSHZOSDPSPDAGG-LJQANCHMSA-N
MW371.41 g/mol
LogP3.07
Rot. Bonds2

About 1,3-benzodioxol-5-yl-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]methanone

1,3-benzodioxol-5-yl-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 1024177) has the molecular formula C19H17NO5S and a molecular weight of 371.41 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]methanone
PubChem CID1024177
Molecular FormulaC19H17NO5S
Molecular Weight371.41 g/mol
Exact Mass371.08
IUPAC Name1,3-benzodioxol-5-yl-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCS[C@@H]1c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H17NO5S/c21-18(12-1-3-15-17(9-12)25-11-24-15)20-5-8-26-19(20)13-2-4-14-16(10-13)23-7-6-22-14/h1-4,9-10,19H,5-8,11H2/t19-/m1/s1
InChIKeyUSHZOSDPSPDAGG-LJQANCHMSA-N
XLogP3.07
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone
CID 1024438
[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 815703
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone
CID 5236428
[2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4166347
[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 1024182
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]-(4-methyl-3-nitrophenyl)methanone
CID 4129926
1,3-benzodioxol-5-yl-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 5114658
1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]-2-methylpropan-1-one
CID 815526
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]-(4-pentylphenyl)methanone
CID 4206772
1,3-benzodioxol-5-yl-[2-(furan-2-yl)-1,3-thiazolidin-3-yl]methanone
CID 5196917
1,3-benzodioxol-5-yl-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7396899
2-(1,3-benzodioxol-5-yl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 5114817

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]methanone (CID 1024177) is 1,3-benzodioxol-5-yl-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]methanone is O=C(c1ccc2c(c1)OCO2)N1CCS[C@@H]1c1ccc2c(c1)OCCO2.
What is the InChIKey of 1,3-benzodioxol-5-yl-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is USHZOSDPSPDAGG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17NO5S/c21-18(12-1-3-15-17(9-12)25-11-24-15)20-5-8-26-19(20)13-2-4-14-16(10-13)23-7-6-22-14/h1-4,9-10,19H,5-8,11H2/t19-/m1/s1.
What are the key properties of 1,3-benzodioxol-5-yl-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]methanone?
1,3-benzodioxol-5-yl-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 371.41 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 1024177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).