1-(2,3-dimethoxyphenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H20N2O5S — CID 23473103

IUPAC1-(2,3-dimethoxyphenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc2oc3c(c(=O)c2c1)C(c1cccc(OC)c1OC)N(c1nccs1)C3=O
InChIInChI=1S/C24H20N2O5S/c1-4-13-8-9-16-15(12-13)20(27)18-19(14-6-5-7-17(29-2)21(14)30-3)26(23(28)22(18)31-16)24-25-10-11-32-24/h5-12,19H,4H2,1-3H3
InChIKeyRQPISOKNTDSNBK-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.58
Rot. Bonds5

About 1-(2,3-dimethoxyphenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(2,3-dimethoxyphenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 23473103) has the molecular formula C24H20N2O5S and a molecular weight of 448.50 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID23473103
Molecular FormulaC24H20N2O5S
Molecular Weight448.50 g/mol
Exact Mass448.11
IUPAC Name1-(2,3-dimethoxyphenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc2oc3c(c(=O)c2c1)C(c1cccc(OC)c1OC)N(c1nccs1)C3=O
InChIInChI=1S/C24H20N2O5S/c1-4-13-8-9-16-15(12-13)20(27)18-19(14-6-5-7-17(29-2)21(14)30-3)26(23(28)22(18)31-16)24-25-10-11-32-24/h5-12,19H,4H2,1-3H3
InChIKeyRQPISOKNTDSNBK-UHFFFAOYSA-N
XLogP4.58
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(2,3-dimethoxyphenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione 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

7-ethyl-1-(3-fluorophenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23473083
1-(3-chlorophenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23473085
7-ethyl-1-(3-propoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23473096
(1R)-7-methyl-2-(1,3-thiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40971285
7-chloro-2-(1,3-thiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5193551
(1R)-1-(2,3-dimethoxyphenyl)-7-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2017028
(1S)-7-chloro-1-(3,4-dimethoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2011618
(1S)-7-bromo-1-(3,4-dimethoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40835653
7-bromo-1-(2,3-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3844516
(1R)-1-(2,5-dimethoxyphenyl)-6-methoxy-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41067586
(1R)-1-(2,3-dimethoxyphenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41132429
1-(2,3-dimethoxyphenyl)-6,7-dimethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23471772

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 23473103) is 1-(2,3-dimethoxyphenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCc1ccc2oc3c(c(=O)c2c1)C(c1cccc(OC)c1OC)N(c1nccs1)C3=O.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is RQPISOKNTDSNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5S/c1-4-13-8-9-16-15(12-13)20(27)18-19(14-6-5-7-17(29-2)21(14)30-3)26(23(28)22(18)31-16)24-25-10-11-32-24/h5-12,19H,4H2,1-3H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(2,3-dimethoxyphenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 448.50 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 23473103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).