prop-2-enyl 4-methyl-2-[1-(5-methylfuran-2-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-1,3-thiazole-5-carboxylate

C24H18N2O6S — CID 3408417

IUPACprop-2-enyl 4-methyl-2-[1-(5-methylfuran-2-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-1,3-thiazole-5-carboxylate
SMILESC=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(C)o2)nc1C
InChIInChI=1S/C24H18N2O6S/c1-4-11-30-23(29)21-13(3)25-24(33-21)26-18(16-10-9-12(2)31-16)17-19(27)14-7-5-6-8-15(14)32-20(17)22(26)28/h4-10,18H,1,11H2,2-3H3
InChIKeyJZMJGUAOLAUBJX-UHFFFAOYSA-N
MW462.48 g/mol
LogP4.55
Rot. Bonds5

About prop-2-enyl 4-methyl-2-[1-(5-methylfuran-2-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-1,3-thiazole-5-carboxylate

prop-2-enyl 4-methyl-2-[1-(5-methylfuran-2-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-1,3-thiazole-5-carboxylate (PubChem CID 3408417) has the molecular formula C24H18N2O6S and a molecular weight of 462.48 g/mol. Its IUPAC name is prop-2-enyl 4-methyl-2-[1-(5-methylfuran-2-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-methyl-2-[1-(5-methylfuran-2-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-1,3-thiazole-5-carboxylate
PubChem CID3408417
Molecular FormulaC24H18N2O6S
Molecular Weight462.48 g/mol
Exact Mass462.09
IUPAC Nameprop-2-enyl 4-methyl-2-[1-(5-methylfuran-2-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-1,3-thiazole-5-carboxylate
SMILESC=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(C)o2)nc1C
InChIInChI=1S/C24H18N2O6S/c1-4-11-30-23(29)21-13(3)25-24(33-21)26-18(16-10-9-12(2)31-16)17-19(27)14-7-5-6-8-15(14)32-20(17)22(26)28/h4-10,18H,1,11H2,2-3H3
InChIKeyJZMJGUAOLAUBJX-UHFFFAOYSA-N
XLogP4.55
TPSA102.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze prop-2-enyl 4-methyl-2-[1-(5-methylfuran-2-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-methyl-2-[1-(5-methylfuran-2-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of prop-2-enyl 4-methyl-2-[1-(5-methylfuran-2-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-1,3-thiazole-5-carboxylate (CID 3408417) is prop-2-enyl 4-methyl-2-[1-(5-methylfuran-2-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for prop-2-enyl 4-methyl-2-[1-(5-methylfuran-2-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for prop-2-enyl 4-methyl-2-[1-(5-methylfuran-2-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-1,3-thiazole-5-carboxylate is C=CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(C)o2)nc1C.
What is the InChIKey of prop-2-enyl 4-methyl-2-[1-(5-methylfuran-2-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is JZMJGUAOLAUBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O6S/c1-4-11-30-23(29)21-13(3)25-24(33-21)26-18(16-10-9-12(2)31-16)17-19(27)14-7-5-6-8-15(14)32-20(17)22(26)28/h4-10,18H,1,11H2,2-3H3.
What are the key properties of prop-2-enyl 4-methyl-2-[1-(5-methylfuran-2-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-1,3-thiazole-5-carboxylate?
prop-2-enyl 4-methyl-2-[1-(5-methylfuran-2-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 462.48 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-methyl-2-[1-(5-methylfuran-2-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 3408417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).