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

C12H14N2O3S — CID 24698635

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C1CSCN1
InChIInChI=1S/C12H14N2O3S/c15-12(9-6-18-7-13-9)14-8-1-2-10-11(5-8)17-4-3-16-10/h1-2,5,9,13H,3-4,6-7H2,(H,14,15)
InChIKeyBAHYIVZKMZKTGI-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.06
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 24698635) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID24698635
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C1CSCN1
InChIInChI=1S/C12H14N2O3S/c15-12(9-6-18-7-13-9)14-8-1-2-10-11(5-8)17-4-3-16-10/h1-2,5,9,13H,3-4,6-7H2,(H,14,15)
InChIKeyBAHYIVZKMZKTGI-UHFFFAOYSA-N
XLogP1.06
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide
CID 24708049
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride
CID 119669203
N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 50988129
N-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazolidine-4-carboxamide
CID 24706047
N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide
CID 24692510
N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide
CID 730787
N-[4-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43617089
N-quinoxalin-6-yl-1,3-thiazolidine-4-carboxamide
CID 54862020
N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839
trans-(1S,2S)-1-N,2-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 11881118
(2S)-N-(1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
CID 22691464
N-(1,3-benzodioxol-5-yl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 71798048

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-4-carboxamide (CID 24698635) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-4-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)C1CSCN1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is BAHYIVZKMZKTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c15-12(9-6-18-7-13-9)14-8-1-2-10-11(5-8)17-4-3-16-10/h1-2,5,9,13H,3-4,6-7H2,(H,14,15).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 24698635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).