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

C18H16Cl2N2O3S — CID 122331003

IUPAC2-(2,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2N2O3S/c19-11-1-3-13(14(20)9-11)17-22(5-8-26-17)18(23)21-12-2-4-15-16(10-12)25-7-6-24-15/h1-4,9-10,17H,5-8H2,(H,21,23)
InChIKeyCISKQCBKTWHSHP-UHFFFAOYSA-N
MW411.31 g/mol
LogP5.04
Rot. Bonds2

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

2-(2,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carboxamide (PubChem CID 122331003) has the molecular formula C18H16Cl2N2O3S and a molecular weight of 411.31 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carboxamide
PubChem CID122331003
Molecular FormulaC18H16Cl2N2O3S
Molecular Weight411.31 g/mol
Exact Mass410.03
IUPAC Name2-(2,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)N1CCSC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2N2O3S/c19-11-1-3-13(14(20)9-11)17-22(5-8-26-17)18(23)21-12-2-4-15-16(10-12)25-7-6-24-15/h1-4,9-10,17H,5-8H2,(H,21,23)
InChIKeyCISKQCBKTWHSHP-UHFFFAOYSA-N
XLogP5.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.31
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenyl)-N-(3,5-difluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 122330998
N-(3-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carboxamide
CID 4062612
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-thiazolidine-3-carboxamide
CID 122329146
N-(1,3-benzodioxol-5-yl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 86264755
(2R)-2-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 1025456
2-(2,4-dichlorophenyl)-N-naphthalen-1-yl-1,3-thiazolidine-3-carboxamide
CID 4691559
2-(2,4-dichlorophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 3418424
N-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-1,3-thiazolidine-3-carbothioamide
CID 3381826
(2S)-N-(4-cyanophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carboxamide
CID 1025146
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 42781183
(1R)-N-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 42546516
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4107138

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carboxamide (CID 122331003) is 2-(2,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)N1CCSC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is CISKQCBKTWHSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3S/c19-11-1-3-13(14(20)9-11)17-22(5-8-26-17)18(23)21-12-2-4-15-16(10-12)25-7-6-24-15/h1-4,9-10,17H,5-8H2,(H,21,23).
What are the key properties of 2-(2,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carboxamide?
2-(2,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 411.31 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 122331003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).