2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4,4-dimethyl-1,3-thiazolidine

C13H16ClNO2S — CID 66230381

IUPAC2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4,4-dimethyl-1,3-thiazolidine
SMILESCC1(C)CSC(c2cc(Cl)c3c(c2)OCCO3)N1
InChIInChI=1S/C13H16ClNO2S/c1-13(2)7-18-12(15-13)8-5-9(14)11-10(6-8)16-3-4-17-11/h5-6,12,15H,3-4,7H2,1-2H3
InChIKeySWQAWOKJWYYCCC-UHFFFAOYSA-N
MW285.80 g/mol
LogP3.22
Rot. Bonds1

About 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4,4-dimethyl-1,3-thiazolidine

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4,4-dimethyl-1,3-thiazolidine (PubChem CID 66230381) has the molecular formula C13H16ClNO2S and a molecular weight of 285.80 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4,4-dimethyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4,4-dimethyl-1,3-thiazolidine
PubChem CID66230381
Molecular FormulaC13H16ClNO2S
Molecular Weight285.80 g/mol
Exact Mass285.06
IUPAC Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4,4-dimethyl-1,3-thiazolidine
SMILESCC1(C)CSC(c2cc(Cl)c3c(c2)OCCO3)N1
InChIInChI=1S/C13H16ClNO2S/c1-13(2)7-18-12(15-13)8-5-9(14)11-10(6-8)16-3-4-17-11/h5-6,12,15H,3-4,7H2,1-2H3
InChIKeySWQAWOKJWYYCCC-UHFFFAOYSA-N
XLogP3.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-1,3-thiazinane
CID 66234676
2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-1,3-thiazolidine
CID 81165826
5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxine
CID 20765776
2-(7-chloro-1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazolidine
CID 66243272
2-(3,4-dimethylphenyl)-4,4-dimethyl-1,3-thiazolidine
CID 66227818
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropan-1-amine
CID 43810369
trans-(1R,2S)-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropan-1-amine
CID 93299644
2-(2,5-dichlorothiophen-3-yl)-4,4-dimethyl-1,3-thiazolidine
CID 131186053
5-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-imino-1-propylimidazolidin-2-one
CID 138389112
N-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)cyclopropyl]methyl]propan-1-amine
CID 62708356
5-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-imino-1-methylimidazolidin-2-one
CID 138389083
3-(6-chloro-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-8-yl)pyrrolidine
CID 117452507

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4,4-dimethyl-1,3-thiazolidine?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4,4-dimethyl-1,3-thiazolidine (CID 66230381) is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4,4-dimethyl-1,3-thiazolidine.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4,4-dimethyl-1,3-thiazolidine?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4,4-dimethyl-1,3-thiazolidine is CC1(C)CSC(c2cc(Cl)c3c(c2)OCCO3)N1.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4,4-dimethyl-1,3-thiazolidine?
The InChIKey is SWQAWOKJWYYCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2S/c1-13(2)7-18-12(15-13)8-5-9(14)11-10(6-8)16-3-4-17-11/h5-6,12,15H,3-4,7H2,1-2H3.
What are the key properties of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4,4-dimethyl-1,3-thiazolidine?
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4,4-dimethyl-1,3-thiazolidine has a molecular weight of 285.80 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4,4-dimethyl-1,3-thiazolidine is sourced from PubChem (CID 66230381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).