2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide

C22H20N2O3S — CID 4197593

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCSC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H20N2O3S/c25-22(23-18-7-3-5-15-4-1-2-6-17(15)18)24-10-13-28-21(24)16-8-9-19-20(14-16)27-12-11-26-19/h1-9,14,21H,10-13H2,(H,23,25)
InChIKeyGZNDMCOCTWDSIU-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.89
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide (PubChem CID 4197593) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide
PubChem CID4197593
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCSC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H20N2O3S/c25-22(23-18-7-3-5-15-4-1-2-6-17(15)18)24-10-13-28-21(24)16-8-9-19-20(14-16)27-12-11-26-19/h1-9,14,21H,10-13H2,(H,23,25)
InChIKeyGZNDMCOCTWDSIU-UHFFFAOYSA-N
XLogP4.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carboxamide
CID 4062612
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 93115048
2-(1,3-benzodioxol-5-yl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 5114817
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 42781183
2-(1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3256733
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-thiazolidine-3-carboxamide
CID 122329146
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4107138
(2S)-N-(4-cyanophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carboxamide
CID 1025146
2-(2,4-dichlorophenyl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide
CID 4691559
ethyl 4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carbonyl]amino]benzoate
CID 1031440
(2R)-2-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 1025456
2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 9444757

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide (CID 4197593) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide is O=C(Nc1cccc2ccccc12)N1CCSC1c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide?
The InChIKey is GZNDMCOCTWDSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c25-22(23-18-7-3-5-15-4-1-2-6-17(15)18)24-10-13-28-21(24)16-8-9-19-20(14-16)27-12-11-26-19/h1-9,14,21H,10-13H2,(H,23,25).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 4197593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).