prop-2-enyl 2-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

C24H20N2O6S2 — CID 2918980

IUPACprop-2-enyl 2-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESC=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2ccccc2OC)nc1C
InChIInChI=1S/C24H20N2O6S2/c1-4-11-32-23(30)21-13(2)25-24(34-21)26-18(14-8-5-6-9-15(14)31-3)17(20(28)22(26)29)19(27)16-10-7-12-33-16/h4-10,12,18,28H,1,11H2,2-3H3
InChIKeyIXWYIDJVJOPHGR-UHFFFAOYSA-N
MW496.57 g/mol
LogP4.65
Rot. Bonds8

About prop-2-enyl 2-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

prop-2-enyl 2-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 2918980) has the molecular formula C24H20N2O6S2 and a molecular weight of 496.57 g/mol. Its IUPAC name is prop-2-enyl 2-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID2918980
Molecular FormulaC24H20N2O6S2
Molecular Weight496.57 g/mol
Exact Mass496.08
IUPAC Nameprop-2-enyl 2-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESC=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2ccccc2OC)nc1C
InChIInChI=1S/C24H20N2O6S2/c1-4-11-32-23(30)21-13(2)25-24(34-21)26-18(14-8-5-6-9-15(14)31-3)17(20(28)22(26)29)19(27)16-10-7-12-33-16/h4-10,12,18,28H,1,11H2,2-3H3
InChIKeyIXWYIDJVJOPHGR-UHFFFAOYSA-N
XLogP4.65
TPSA106.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of prop-2-enyl 2-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate (CID 2918980) is prop-2-enyl 2-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for prop-2-enyl 2-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for prop-2-enyl 2-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate is C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2ccccc2OC)nc1C.
What is the InChIKey of prop-2-enyl 2-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is IXWYIDJVJOPHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O6S2/c1-4-11-32-23(30)21-13(2)25-24(34-21)26-18(14-8-5-6-9-15(14)31-3)17(20(28)22(26)29)19(27)16-10-7-12-33-16/h4-10,12,18,28H,1,11H2,2-3H3.
What are the key properties of prop-2-enyl 2-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate?
prop-2-enyl 2-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 496.57 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2918980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).