[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-phenylmethanone

C17H15NO3S — CID 815703

IUPAC[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCS[C@@H]1c1ccc2c(c1)OCO2
InChIInChI=1S/C17H15NO3S/c19-16(12-4-2-1-3-5-12)18-8-9-22-17(18)13-6-7-14-15(10-13)21-11-20-14/h1-7,10,17H,8-9,11H2/t17-/m1/s1
InChIKeyQORWNRCTVVDPQQ-QGZVFWFLSA-N
MW313.38 g/mol
LogP3.30
Rot. Bonds2

About [(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-phenylmethanone

[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-phenylmethanone (PubChem CID 815703) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is [(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-phenylmethanone
PubChem CID815703
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCS[C@@H]1c1ccc2c(c1)OCO2
InChIInChI=1S/C17H15NO3S/c19-16(12-4-2-1-3-5-12)18-8-9-22-17(18)13-6-7-14-15(10-13)21-11-20-14/h1-7,10,17H,8-9,11H2/t17-/m1/s1
InChIKeyQORWNRCTVVDPQQ-QGZVFWFLSA-N
XLogP3.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone
CID 1024438
1,3-benzodioxol-5-yl-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]methanone
CID 1024177
[2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4166347
2-(1,3-benzodioxol-5-yl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 5114817
1,3-benzodioxol-5-yl-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 5114658
[(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-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7396899
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]-(3,5-dimethoxyphenyl)methanone
CID 5236428
1,3-benzodioxol-5-yl-[2-(furan-2-yl)-1,3-thiazolidin-3-yl]methanone
CID 5196917
1-[(2S)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7365110
[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 4058369
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]-(4-pentylphenyl)methanone
CID 4206772

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-phenylmethanone?
The IUPAC name of [(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-phenylmethanone (CID 815703) is [(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-phenylmethanone.
What is the SMILES notation for [(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-phenylmethanone?
The canonical SMILES for [(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-phenylmethanone is O=C(c1ccccc1)N1CCS[C@@H]1c1ccc2c(c1)OCO2.
What is the InChIKey of [(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-phenylmethanone?
The InChIKey is QORWNRCTVVDPQQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H15NO3S/c19-16(12-4-2-1-3-5-12)18-8-9-22-17(18)13-6-7-14-15(10-13)21-11-20-14/h1-7,10,17H,8-9,11H2/t17-/m1/s1.
What are the key properties of [(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-phenylmethanone?
[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-phenylmethanone has a molecular weight of 313.38 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-phenylmethanone is sourced from PubChem (CID 815703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).