propan-2-yl 3-[(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoate

C14H16N2O3S — CID 3575785

IUPACpropan-2-yl 3-[(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoate
SMILESCC(C)OC(=O)c1cccc(/N=C2\SCC(=O)N2C)c1
InChIInChI=1S/C14H16N2O3S/c1-9(2)19-13(18)10-5-4-6-11(7-10)15-14-16(3)12(17)8-20-14/h4-7,9H,8H2,1-3H3/b15-14-
InChIKeyKMEKPPWURJOVQZ-PFONDFGASA-N
MW292.36 g/mol
LogP2.44
Rot. Bonds3

About propan-2-yl 3-[(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoate

propan-2-yl 3-[(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoate (PubChem CID 3575785) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is propan-2-yl 3-[(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 3-[(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoate
PubChem CID3575785
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Namepropan-2-yl 3-[(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoate
SMILESCC(C)OC(=O)c1cccc(/N=C2\SCC(=O)N2C)c1
InChIInChI=1S/C14H16N2O3S/c1-9(2)19-13(18)10-5-4-6-11(7-10)15-14-16(3)12(17)8-20-14/h4-7,9H,8H2,1-3H3/b15-14-
InChIKeyKMEKPPWURJOVQZ-PFONDFGASA-N
XLogP2.44
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoate?
The IUPAC name of propan-2-yl 3-[(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoate (CID 3575785) is propan-2-yl 3-[(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoate.
What is the SMILES notation for propan-2-yl 3-[(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoate?
The canonical SMILES for propan-2-yl 3-[(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoate is CC(C)OC(=O)c1cccc(/N=C2\SCC(=O)N2C)c1.
What is the InChIKey of propan-2-yl 3-[(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoate?
The InChIKey is KMEKPPWURJOVQZ-PFONDFGASA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-9(2)19-13(18)10-5-4-6-11(7-10)15-14-16(3)12(17)8-20-14/h4-7,9H,8H2,1-3H3/b15-14-.
What are the key properties of propan-2-yl 3-[(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoate?
propan-2-yl 3-[(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoate has a molecular weight of 292.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoate is sourced from PubChem (CID 3575785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).