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

C24H18N2O5S — CID 5093448

IUPACethyl 2-(3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccccc2)nc1C
InChIInChI=1S/C24H18N2O5S/c1-3-30-23(29)21-13(2)25-24(32-21)26-18(14-9-5-4-6-10-14)17-19(27)15-11-7-8-12-16(15)31-20(17)22(26)28/h4-12,18H,3H2,1-2H3
InChIKeyANVNMUFADPHSOV-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.48
Rot. Bonds4

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

ethyl 2-(3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 5093448) has the molecular formula C24H18N2O5S and a molecular weight of 446.48 g/mol. Its IUPAC name is ethyl 2-(3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID5093448
Molecular FormulaC24H18N2O5S
Molecular Weight446.48 g/mol
Exact Mass446.09
IUPAC Nameethyl 2-(3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccccc2)nc1C
InChIInChI=1S/C24H18N2O5S/c1-3-30-23(29)21-13(2)25-24(32-21)26-18(14-9-5-4-6-10-14)17-19(27)15-11-7-8-12-16(15)31-20(17)22(26)28/h4-12,18H,3H2,1-2H3
InChIKeyANVNMUFADPHSOV-UHFFFAOYSA-N
XLogP4.48
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate (CID 5093448) is ethyl 2-(3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccccc2)nc1C.
What is the InChIKey of ethyl 2-(3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is ANVNMUFADPHSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O5S/c1-3-30-23(29)21-13(2)25-24(32-21)26-18(14-9-5-4-6-10-14)17-19(27)15-11-7-8-12-16(15)31-20(17)22(26)28/h4-12,18H,3H2,1-2H3.
What are the key properties of ethyl 2-(3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 446.48 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 5093448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).