1-(3-ethoxy-4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H16N2O5S — CID 5013593

IUPAC1-(3-ethoxy-4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)ccc1O
InChIInChI=1S/C22H16N2O5S/c1-2-28-16-11-12(7-8-14(16)25)18-17-19(26)13-5-3-4-6-15(13)29-20(17)21(27)24(18)22-23-9-10-30-22/h3-11,18,25H,2H2,1H3
InChIKeyKXWOIZFANNYHGZ-UHFFFAOYSA-N
MW420.45 g/mol
LogP4.10
Rot. Bonds4

About 1-(3-ethoxy-4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-ethoxy-4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 5013593) has the molecular formula C22H16N2O5S and a molecular weight of 420.45 g/mol. Its IUPAC name is 1-(3-ethoxy-4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-ethoxy-4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID5013593
Molecular FormulaC22H16N2O5S
Molecular Weight420.45 g/mol
Exact Mass420.08
IUPAC Name1-(3-ethoxy-4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)ccc1O
InChIInChI=1S/C22H16N2O5S/c1-2-28-16-11-12(7-8-14(16)25)18-17-19(26)13-5-3-4-6-15(13)29-20(17)21(27)24(18)22-23-9-10-30-22/h3-11,18,25H,2H2,1H3
InChIKeyKXWOIZFANNYHGZ-UHFFFAOYSA-N
XLogP4.10
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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)-1-(4-hydroxy-3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 4503125
methyl 2-[1-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15991321
1-Phenyl-2-(1,3-thiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 3586760
ethyl 2-[1-(4-butoxy-3-methoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 3673765
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
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
4-(4-ethoxybenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-(1,3-thiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one
CID 5767682
1-(2-Fluorophenyl)-6,7-dimethyl-2-(thiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 16434444
Cambridge id 6171635
CID 2889201

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-ethoxy-4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 5013593) is 1-(3-ethoxy-4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-ethoxy-4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-ethoxy-4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)ccc1O.
What is the InChIKey of 1-(3-ethoxy-4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is KXWOIZFANNYHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O5S/c1-2-28-16-11-12(7-8-14(16)25)18-17-19(26)13-5-3-4-6-15(13)29-20(17)21(27)24(18)22-23-9-10-30-22/h3-11,18,25H,2H2,1H3.
What are the key properties of 1-(3-ethoxy-4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-ethoxy-4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 420.45 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 5013593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).