(1R)-1-(2,3-dimethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H20N2O5S — CID 41417873

IUPAC(1R)-1-(2,3-dimethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)c1OC
InChIInChI=1S/C24H20N2O5S/c1-12-10-15-17(11-13(12)2)31-22-18(20(15)27)19(26(23(22)28)24-25-8-9-32-24)14-6-5-7-16(29-3)21(14)30-4/h5-11,19H,1-4H3/t19-/m1/s1
InChIKeyWAUIWMIEOAYNNM-LJQANCHMSA-N
MW448.50 g/mol
LogP4.63
Rot. Bonds4

About (1R)-1-(2,3-dimethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-1-(2,3-dimethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 41417873) has the molecular formula C24H20N2O5S and a molecular weight of 448.50 g/mol. Its IUPAC name is (1R)-1-(2,3-dimethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-1-(2,3-dimethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID41417873
Molecular FormulaC24H20N2O5S
Molecular Weight448.50 g/mol
Exact Mass448.11
IUPAC Name(1R)-1-(2,3-dimethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)c1OC
InChIInChI=1S/C24H20N2O5S/c1-12-10-15-17(11-13(12)2)31-22-18(20(15)27)19(26(23(22)28)24-25-8-9-32-24)14-6-5-7-16(29-3)21(14)30-4/h5-11,19H,1-4H3/t19-/m1/s1
InChIKeyWAUIWMIEOAYNNM-LJQANCHMSA-N
XLogP4.63
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1R)-1-(2,3-dimethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

6,7-dimethoxy-2-(2-thiazolyl)-3H-isoindol-1-one
CID 658285
4-acetyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(1,3-thiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
CID 660560
1-(4-Hydroxy-3-methoxyphenyl)-2-(1,3-thiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 4502965
1-(4-Hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 2947497
2-(4,5-Dimethyl-1,3-thiazol-2-yl)-6,7-dimethyl-1-[4-(propan-2-yl)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 3261396
methyl 2-[1-(4-ethylphenyl)-6,7-dimethyl-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15991330
1-Phenyl-2-(1,3-thiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 3586760
2-(4,5-Dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxy-3-methoxyphenyl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 3809976
1-(3-Ethoxy-4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 5013593
2-(4,5-Dimethyl-1,3-thiazol-2-yl)-1-(3-ethoxyphenyl)-6,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 5053065
2-(4,5-Dimethyl-1,3-thiazol-2-yl)-1-[3-ethoxy-4-(pentyloxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 4503529
1-(2-Fluorophenyl)-6,7-dimethyl-2-(thiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 16434444

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3-dimethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-1-(2,3-dimethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 41417873) is (1R)-1-(2,3-dimethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-1-(2,3-dimethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-1-(2,3-dimethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)c1OC.
What is the InChIKey of (1R)-1-(2,3-dimethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is WAUIWMIEOAYNNM-LJQANCHMSA-N. The full InChI is InChI=1S/C24H20N2O5S/c1-12-10-15-17(11-13(12)2)31-22-18(20(15)27)19(26(23(22)28)24-25-8-9-32-24)14-6-5-7-16(29-3)21(14)30-4/h5-11,19H,1-4H3/t19-/m1/s1.
What are the key properties of (1R)-1-(2,3-dimethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-1-(2,3-dimethoxyphenyl)-6,7-dimethyl-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 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3-dimethoxyphenyl)-6,7-dimethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 41417873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).