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

C11H11NO3S — CID 3119561

IUPACmethyl 4-(4-oxo-1,3-thiazolidin-2-yl)benzoate
SMILESCOC(=O)c1ccc(C2NC(=O)CS2)cc1
InChIInChI=1S/C11H11NO3S/c1-15-11(14)8-4-2-7(3-5-8)10-12-9(13)6-16-10/h2-5,10H,6H2,1H3,(H,12,13)
InChIKeyXASHAHUJNYMFSW-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.33
Rot. Bonds2

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

methyl 4-(4-oxo-1,3-thiazolidin-2-yl)benzoate (PubChem CID 3119561) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is methyl 4-(4-oxo-1,3-thiazolidin-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(4-oxo-1,3-thiazolidin-2-yl)benzoate
PubChem CID3119561
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Namemethyl 4-(4-oxo-1,3-thiazolidin-2-yl)benzoate
SMILESCOC(=O)c1ccc(C2NC(=O)CS2)cc1
InChIInChI=1S/C11H11NO3S/c1-15-11(14)8-4-2-7(3-5-8)10-12-9(13)6-16-10/h2-5,10H,6H2,1H3,(H,12,13)
InChIKeyXASHAHUJNYMFSW-UHFFFAOYSA-N
XLogP1.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 164666440
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CID 95390408
methyl 4-[(5S)-2-oxo-1,5-dihydrothieno[3,2-e][1,4]thiazepin-5-yl]benzoate
CID 95390409
methyl 4-(8-azabicyclo[3.2.1]octan-3-yl)benzoate
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CID 138974808
methyl 4-[(4R)-1-cyclopentyl-7-oxo-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-4-yl]benzoate
CID 136854160
methyl 4-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-2-yl]benzoate
CID 102064566
methyl 4-[(2S,3S)-3-nitro-6-oxopiperidin-2-yl]benzoate
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methyl 4-(2-oxooxolan-3-yl)benzoate
CID 138963901
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CID 159353152
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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-oxo-1,3-thiazolidin-2-yl)benzoate?
The IUPAC name of methyl 4-(4-oxo-1,3-thiazolidin-2-yl)benzoate (CID 3119561) is methyl 4-(4-oxo-1,3-thiazolidin-2-yl)benzoate.
What is the SMILES notation for methyl 4-(4-oxo-1,3-thiazolidin-2-yl)benzoate?
The canonical SMILES for methyl 4-(4-oxo-1,3-thiazolidin-2-yl)benzoate is COC(=O)c1ccc(C2NC(=O)CS2)cc1.
What is the InChIKey of methyl 4-(4-oxo-1,3-thiazolidin-2-yl)benzoate?
The InChIKey is XASHAHUJNYMFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-15-11(14)8-4-2-7(3-5-8)10-12-9(13)6-16-10/h2-5,10H,6H2,1H3,(H,12,13).
What are the key properties of methyl 4-(4-oxo-1,3-thiazolidin-2-yl)benzoate?
methyl 4-(4-oxo-1,3-thiazolidin-2-yl)benzoate has a molecular weight of 237.28 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-oxo-1,3-thiazolidin-2-yl)benzoate is sourced from PubChem (CID 3119561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).