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

C20H12N2O4S — CID 2947497

IUPAC1-(4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2ccc(O)cc2)N1c1nccs1
InChIInChI=1S/C20H12N2O4S/c23-12-7-5-11(6-8-12)16-15-17(24)13-3-1-2-4-14(13)26-18(15)19(25)22(16)20-21-9-10-27-20/h1-10,16,23H
InChIKeyFRJJALRANSJEKT-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.70
Rot. Bonds2

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

1-(4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2947497) has the molecular formula C20H12N2O4S and a molecular weight of 376.39 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2947497
Molecular FormulaC20H12N2O4S
Molecular Weight376.39 g/mol
Exact Mass376.05
IUPAC Name1-(4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2ccc(O)cc2)N1c1nccs1
InChIInChI=1S/C20H12N2O4S/c23-12-7-5-11(6-8-12)16-15-17(24)13-3-1-2-4-14(13)26-18(15)19(25)22(16)20-21-9-10-27-20/h1-10,16,23H
InChIKeyFRJJALRANSJEKT-UHFFFAOYSA-N
XLogP3.70
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2947497) is 1-(4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2C(c2ccc(O)cc2)N1c1nccs1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is FRJJALRANSJEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O4S/c23-12-7-5-11(6-8-12)16-15-17(24)13-3-1-2-4-14(13)26-18(15)19(25)22(16)20-21-9-10-27-20/h1-10,16,23H.
What are the key properties of 1-(4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 376.39 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2947497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).