(1R)-1-(2,5-dimethoxyphenyl)-6-methoxy-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H18N2O6S — CID 41067586

IUPAC(1R)-1-(2,5-dimethoxyphenyl)-6-methoxy-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(OC)c([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2c2nccs2)c1
InChIInChI=1S/C23H18N2O6S/c1-28-12-5-7-16(30-3)15(10-12)19-18-20(26)14-6-4-13(29-2)11-17(14)31-21(18)22(27)25(19)23-24-8-9-32-23/h4-11,19H,1-3H3/t19-/m1/s1
InChIKeyJQAJLPKCSJDVOT-LJQANCHMSA-N
MW450.47 g/mol
LogP4.03
Rot. Bonds5

About (1R)-1-(2,5-dimethoxyphenyl)-6-methoxy-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-1-(2,5-dimethoxyphenyl)-6-methoxy-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 41067586) has the molecular formula C23H18N2O6S and a molecular weight of 450.47 g/mol. Its IUPAC name is (1R)-1-(2,5-dimethoxyphenyl)-6-methoxy-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-1-(2,5-dimethoxyphenyl)-6-methoxy-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID41067586
Molecular FormulaC23H18N2O6S
Molecular Weight450.47 g/mol
Exact Mass450.09
IUPAC Name(1R)-1-(2,5-dimethoxyphenyl)-6-methoxy-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(OC)c([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2c2nccs2)c1
InChIInChI=1S/C23H18N2O6S/c1-28-12-5-7-16(30-3)15(10-12)19-18-20(26)14-6-4-13(29-2)11-17(14)31-21(18)22(27)25(19)23-24-8-9-32-23/h4-11,19H,1-3H3/t19-/m1/s1
InChIKeyJQAJLPKCSJDVOT-LJQANCHMSA-N
XLogP4.03
TPSA91.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-chlorophenyl)-6-methoxy-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4898102
(1R)-1-(4-chlorophenyl)-6-methoxy-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41008216
(1R)-6-methoxy-1-(4-nitrophenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417961
7-chloro-1-(4-methoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4011625
2-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472409
(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
1-(3,4-dichlorophenyl)-6-ethoxy-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472657
(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
(1R)-6,7-dimethyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143873
1-(2,3-dimethoxyphenyl)-7-ethyl-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23473103
7-bromo-1-(2,5-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3681238

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-dimethoxyphenyl)-6-methoxy-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-1-(2,5-dimethoxyphenyl)-6-methoxy-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 41067586) is (1R)-1-(2,5-dimethoxyphenyl)-6-methoxy-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-1-(2,5-dimethoxyphenyl)-6-methoxy-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-1-(2,5-dimethoxyphenyl)-6-methoxy-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(OC)c([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2c2nccs2)c1.
What is the InChIKey of (1R)-1-(2,5-dimethoxyphenyl)-6-methoxy-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is JQAJLPKCSJDVOT-LJQANCHMSA-N. The full InChI is InChI=1S/C23H18N2O6S/c1-28-12-5-7-16(30-3)15(10-12)19-18-20(26)14-6-4-13(29-2)11-17(14)31-21(18)22(27)25(19)23-24-8-9-32-23/h4-11,19H,1-3H3/t19-/m1/s1.
What are the key properties of (1R)-1-(2,5-dimethoxyphenyl)-6-methoxy-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-1-(2,5-dimethoxyphenyl)-6-methoxy-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 450.47 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,5-dimethoxyphenyl)-6-methoxy-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 41067586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).