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

C22H15FN2O3S — CID 3786442

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1nc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccccc2F)sc1C
InChIInChI=1S/C22H15FN2O3S/c1-11-12(2)29-22(24-11)25-18(13-7-3-5-9-15(13)23)17-19(26)14-8-4-6-10-16(14)28-20(17)21(25)27/h3-10,18H,1-2H3
InChIKeyXGDMVVKOAODZJI-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.76
Rot. Bonds2

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

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3786442) has the molecular formula C22H15FN2O3S and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID3786442
Molecular FormulaC22H15FN2O3S
Molecular Weight406.44 g/mol
Exact Mass406.08
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1nc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccccc2F)sc1C
InChIInChI=1S/C22H15FN2O3S/c1-11-12(2)29-22(24-11)25-18(13-7-3-5-9-15(13)23)17-19(26)14-8-4-6-10-16(14)28-20(17)21(25)27/h3-10,18H,1-2H3
InChIKeyXGDMVVKOAODZJI-UHFFFAOYSA-N
XLogP4.76
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3786442) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-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-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccccc2F)sc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is XGDMVVKOAODZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O3S/c1-11-12(2)29-22(24-11)25-18(13-7-3-5-9-15(13)23)17-19(26)14-8-4-6-10-16(14)28-20(17)21(25)27/h3-10,18H,1-2H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 406.44 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3786442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).