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

C23H18N2O6S — CID 2948423

IUPACethyl 4-methyl-2-[1-(5-methylfuran-2-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(C)o2)nc1C
InChIInChI=1S/C23H18N2O6S/c1-4-29-22(28)20-12(3)24-23(32-20)25-17(15-10-9-11(2)30-15)16-18(26)13-7-5-6-8-14(13)31-19(16)21(25)27/h5-10,17H,4H2,1-3H3
InChIKeyJJHXXDOCOSNPFY-UHFFFAOYSA-N
MW450.47 g/mol
LogP4.39
Rot. Bonds4

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

ethyl 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 2948423) has the molecular formula C23H18N2O6S and a molecular weight of 450.47 g/mol. Its IUPAC name is ethyl 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 Nameethyl 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 CID2948423
Molecular FormulaC23H18N2O6S
Molecular Weight450.47 g/mol
Exact Mass450.09
IUPAC Nameethyl 4-methyl-2-[1-(5-methylfuran-2-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(C)o2)nc1C
InChIInChI=1S/C23H18N2O6S/c1-4-29-22(28)20-12(3)24-23(32-20)25-17(15-10-9-11(2)30-15)16-18(26)13-7-5-6-8-14(13)31-19(16)21(25)27/h5-10,17H,4H2,1-3H3
InChIKeyJJHXXDOCOSNPFY-UHFFFAOYSA-N
XLogP4.39
TPSA102.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 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

Related Compounds

CID 659858
CID 659858
CID 71055321
CID 71055321
CID 672646
CID 672646
CID 2918433
CID 2918433
CID 2948147
CID 2948147
CID 3146524
CID 3146524
CID 4455427
CID 4455427
CID 4526079
CID 4526079
CID 4679126
CID 4679126
CID 15991337
CID 15991337
CID 15991342
CID 15991342
CID 2908742
CID 2908742

Frequently Asked Questions

What is the IUPAC name of ethyl 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 ethyl 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 2948423) is ethyl 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 ethyl 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 ethyl 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 CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(C)o2)nc1C.
What is the InChIKey of ethyl 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 JJHXXDOCOSNPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O6S/c1-4-29-22(28)20-12(3)24-23(32-20)25-17(15-10-9-11(2)30-15)16-18(26)13-7-5-6-8-14(13)31-19(16)21(25)27/h5-10,17H,4H2,1-3H3.
What are the key properties of ethyl 4-methyl-2-[1-(5-methylfuran-2-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-1,3-thiazole-5-carboxylate?
ethyl 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 450.47 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 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 2948423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).