methyl 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate

C14H16N2O6S — CID 58484747

IUPACmethyl 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate
SMILESCOC(=O)c1ccc(N2CCOC2=O)cc1N1CCCS1(=O)=O
InChIInChI=1S/C14H16N2O6S/c1-21-13(17)11-4-3-10(15-6-7-22-14(15)18)9-12(11)16-5-2-8-23(16,19)20/h3-4,9H,2,5-8H2,1H3
InChIKeyBCQXCGGYNRPKEV-UHFFFAOYSA-N
MW340.36 g/mol
LogP0.97
Rot. Bonds3

About methyl 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate

methyl 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate (PubChem CID 58484747) has the molecular formula C14H16N2O6S and a molecular weight of 340.36 g/mol. Its IUPAC name is methyl 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate
PubChem CID58484747
Molecular FormulaC14H16N2O6S
Molecular Weight340.36 g/mol
Exact Mass340.07
IUPAC Namemethyl 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate
SMILESCOC(=O)c1ccc(N2CCOC2=O)cc1N1CCCS1(=O)=O
InChIInChI=1S/C14H16N2O6S/c1-21-13(17)11-4-3-10(15-6-7-22-14(15)18)9-12(11)16-5-2-8-23(16,19)20/h3-4,9H,2,5-8H2,1H3
InChIKeyBCQXCGGYNRPKEV-UHFFFAOYSA-N
XLogP0.97
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate with MolForge

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Related Compounds

methyl 2-(2,3-dioxomorpholin-4-yl)benzoate
CID 117005546
tert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate
CID 141011533
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxybenzoic acid
CID 71252082
methyl 3-amino-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylbenzoate
CID 69357714
1-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]pyrrolidin-2-one
CID 71261357
methyl 5-cyclopentyl-3-(1,1-dioxothiazinan-2-yl)-2-fluorobenzoate
CID 69357771
3-[3-methoxy-4-(prop-2-ynylamino)phenyl]-1,3-oxazolidin-2-one
CID 171616357
3-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-1,3-oxazolidin-2-one
CID 53358935
methyl N-[[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidin-4-ylidene]amino]carbamate
CID 139681959
methyl 2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzoate
CID 18134729
3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 89289415
methyl 3-(1,1-dioxothiazinan-2-yl)-5-(ethylamino)-2-methoxybenzoate
CID 69357544

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate?
The IUPAC name of methyl 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate (CID 58484747) is methyl 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate.
What is the SMILES notation for methyl 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate?
The canonical SMILES for methyl 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate is COC(=O)c1ccc(N2CCOC2=O)cc1N1CCCS1(=O)=O.
What is the InChIKey of methyl 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate?
The InChIKey is BCQXCGGYNRPKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O6S/c1-21-13(17)11-4-3-10(15-6-7-22-14(15)18)9-12(11)16-5-2-8-23(16,19)20/h3-4,9H,2,5-8H2,1H3.
What are the key properties of methyl 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate?
methyl 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate has a molecular weight of 340.36 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate is sourced from PubChem (CID 58484747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).