2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H24N2O5S — CID 3809976

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1OC
InChIInChI=1S/C26H24N2O5S/c1-6-32-19-10-8-16(12-20(19)31-5)22-21-23(29)17-11-13(2)7-9-18(17)33-24(21)25(30)28(22)26-27-14(3)15(4)34-26/h7-12,22H,6H2,1-5H3
InChIKeyXGUSWZOGRGKAFP-UHFFFAOYSA-N
MW476.55 g/mol
LogP5.33
Rot. Bonds5

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3809976) has the molecular formula C26H24N2O5S and a molecular weight of 476.55 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID3809976
Molecular FormulaC26H24N2O5S
Molecular Weight476.55 g/mol
Exact Mass476.14
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1OC
InChIInChI=1S/C26H24N2O5S/c1-6-32-19-10-8-16(12-20(19)31-5)22-21-23(29)17-11-13(2)7-9-18(17)33-24(21)25(30)28(22)26-27-14(3)15(4)34-26/h7-12,22H,6H2,1-5H3
InChIKeyXGUSWZOGRGKAFP-UHFFFAOYSA-N
XLogP5.33
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.55
LogP ≤ 55.33
H-Bond Donors ≤ 50
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-ethoxy-3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3809976) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-7-methyl-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-ethoxy-3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1OC.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is XGUSWZOGRGKAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5S/c1-6-32-19-10-8-16(12-20(19)31-5)22-21-23(29)17-11-13(2)7-9-18(17)33-24(21)25(30)28(22)26-27-14(3)15(4)34-26/h7-12,22H,6H2,1-5H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 476.55 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 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-ethoxy-3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3809976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).