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

C21H17NO3S — CID 1024438

IUPAC[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)N1CCS[C@@H]1c1ccc2c(c1)OCO2
InChIInChI=1S/C21H17NO3S/c23-20(16-6-5-14-3-1-2-4-15(14)11-16)22-9-10-26-21(22)17-7-8-18-19(12-17)25-13-24-18/h1-8,11-12,21H,9-10,13H2/t21-/m1/s1
InChIKeyNBMPEOQDQSLXHA-OAQYLSRUSA-N
MW363.44 g/mol
LogP4.46
Rot. Bonds2

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

[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone (PubChem CID 1024438) has the molecular formula C21H17NO3S and a molecular weight of 363.44 g/mol. Its IUPAC name is [(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone
PubChem CID1024438
Molecular FormulaC21H17NO3S
Molecular Weight363.44 g/mol
Exact Mass363.09
IUPAC Name[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)N1CCS[C@@H]1c1ccc2c(c1)OCO2
InChIInChI=1S/C21H17NO3S/c23-20(16-6-5-14-3-1-2-4-15(14)11-16)22-9-10-26-21(22)17-7-8-18-19(12-17)25-13-24-18/h1-8,11-12,21H,9-10,13H2/t21-/m1/s1
InChIKeyNBMPEOQDQSLXHA-OAQYLSRUSA-N
XLogP4.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.46
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]-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
1,3-benzodioxol-5-yl-[2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 5114658
[2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4166347
1,3-benzodioxol-5-yl-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7396899
[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone
CID 7397609
2-(1,3-benzodioxol-5-yl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 5114817
[(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
[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)-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3548492
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]-(4-methyl-3-nitrophenyl)methanone
CID 4129926

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone (CID 1024438) is [(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone is O=C(c1ccc2ccccc2c1)N1CCS[C@@H]1c1ccc2c(c1)OCO2.
What is the InChIKey of [(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone?
The InChIKey is NBMPEOQDQSLXHA-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H17NO3S/c23-20(16-6-5-14-3-1-2-4-15(14)11-16)22-9-10-26-21(22)17-7-8-18-19(12-17)25-13-24-18/h1-8,11-12,21H,9-10,13H2/t21-/m1/s1.
What are the key properties of [(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone?
[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-naphthalen-2-ylmethanone has a molecular weight of 363.44 g/mol, XLogP of 4.46, 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]-naphthalen-2-ylmethanone is sourced from PubChem (CID 1024438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).