2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H18N2O5S — CID 4503125

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)ccc1O
InChIInChI=1S/C23H18N2O5S/c1-11-12(2)31-23(24-11)25-19(13-8-9-15(26)17(10-13)29-3)18-20(27)14-6-4-5-7-16(14)30-21(18)22(25)28/h4-10,19,26H,1-3H3
InChIKeyWLZRKPMFSUJLDR-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.33
Rot. Bonds3

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4503125) has the molecular formula C23H18N2O5S and a molecular weight of 434.47 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4503125
Molecular FormulaC23H18N2O5S
Molecular Weight434.47 g/mol
Exact Mass434.09
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)ccc1O
InChIInChI=1S/C23H18N2O5S/c1-11-12(2)31-23(24-11)25-19(13-8-9-15(26)17(10-13)29-3)18-20(27)14-6-4-5-7-16(14)30-21(18)22(25)28/h4-10,19,26H,1-3H3
InChIKeyWLZRKPMFSUJLDR-UHFFFAOYSA-N
XLogP4.33
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4503125) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)ccc1O.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is WLZRKPMFSUJLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5S/c1-11-12(2)31-23(24-11)25-19(13-8-9-15(26)17(10-13)29-3)18-20(27)14-6-4-5-7-16(14)30-21(18)22(25)28/h4-10,19,26H,1-3H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 434.47 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4503125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).