2-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one

C18H17NO4S — CID 13317425

IUPAC2-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCOc1ccc(N2C(=O)CSC2c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C18H17NO4S/c1-2-21-14-6-4-13(5-7-14)19-17(20)10-24-18(19)12-3-8-15-16(9-12)23-11-22-15/h3-9,18H,2,10-11H2,1H3
InChIKeyVBOSFDIZWORTRT-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.59
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one

2-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 13317425) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID13317425
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC Name2-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCOc1ccc(N2C(=O)CSC2c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C18H17NO4S/c1-2-21-14-6-4-13(5-7-14)19-17(20)10-24-18(19)12-3-8-15-16(9-12)23-11-22-15/h3-9,18H,2,10-11H2,1H3
InChIKeyVBOSFDIZWORTRT-UHFFFAOYSA-N
XLogP3.59
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 93125671
2-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 2987831
2-(3,4-difluorophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 3370397
(3S,4R)-3-amino-4-(1,3-benzodioxol-5-yl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504201
2-(3-bromophenyl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 3288402
(2R)-3-(4-ethoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274921
2-(1,3-benzodioxol-5-yl)-3-(3-fluoro-4-methylphenyl)-1,3-thiazolidin-4-one
CID 126478989
N-[4-[2-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 23958782
N-[3-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]methanesulfonamide
CID 93126000
[4-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl] 4-methylbenzenesulfonate
CID 56968142
2-[(2S,3R)-2-(1,3-benzodioxol-5-yl)-1-(4-ethoxyphenyl)-4-oxoazetidin-3-yl]-4,5,6,7-tetrachloroisoindole-1,3-dione
CID 98121953
1-[3-(1,3-benzodioxol-5-yl)-4-(4-ethoxyphenyl)-2-phenyl-3H-1,2,4-triazol-5-yl]ethanone
CID 4214533

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one (CID 13317425) is 2-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one is CCOc1ccc(N2C(=O)CSC2c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is VBOSFDIZWORTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S/c1-2-21-14-6-4-13(5-7-14)19-17(20)10-24-18(19)12-3-8-15-16(9-12)23-11-22-15/h3-9,18H,2,10-11H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one?
2-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 343.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-3-(4-ethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 13317425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).