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

C24H21NO4S — CID 7396899

IUPAC1,3-benzodioxol-5-yl-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCS[C@H]1c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C24H21NO4S/c26-23(18-9-10-21-22(14-18)29-16-28-21)25-11-12-30-24(25)19-7-4-8-20(13-19)27-15-17-5-2-1-3-6-17/h1-10,13-14,24H,11-12,15-16H2/t24-/m0/s1
InChIKeyPKZXBGKVBMAJGS-DEOSSOPVSA-N
MW419.50 g/mol
LogP4.88
Rot. Bonds5

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

1,3-benzodioxol-5-yl-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 7396899) has the molecular formula C24H21NO4S and a molecular weight of 419.50 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID7396899
Molecular FormulaC24H21NO4S
Molecular Weight419.50 g/mol
Exact Mass419.12
IUPAC Name1,3-benzodioxol-5-yl-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCS[C@H]1c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C24H21NO4S/c26-23(18-9-10-21-22(14-18)29-16-28-21)25-11-12-30-24(25)19-7-4-8-20(13-19)27-15-17-5-2-1-3-6-17/h1-10,13-14,24H,11-12,15-16H2/t24-/m0/s1
InChIKeyPKZXBGKVBMAJGS-DEOSSOPVSA-N
XLogP4.88
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-benzodioxol-5-yl-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 5114658
(4-ethylphenyl)-[2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 3402926
1-[(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7262558
[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone
CID 1024438
cyclopropyl-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7301681
[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 815703
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-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 93114995
N-(3,4-difluorophenyl)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4047301
[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
1,3-benzodioxol-5-yl-[2-(furan-2-yl)-1,3-thiazolidin-3-yl]methanone
CID 5196917

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (CID 7396899) is 1,3-benzodioxol-5-yl-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is O=C(c1ccc2c(c1)OCO2)N1CCS[C@H]1c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is PKZXBGKVBMAJGS-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H21NO4S/c26-23(18-9-10-21-22(14-18)29-16-28-21)25-11-12-30-24(25)19-7-4-8-20(13-19)27-15-17-5-2-1-3-6-17/h1-10,13-14,24H,11-12,15-16H2/t24-/m0/s1.
What are the key properties of 1,3-benzodioxol-5-yl-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
1,3-benzodioxol-5-yl-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 419.50 g/mol, XLogP of 4.88, 5 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-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 7396899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).