2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H17FN2O3S — CID 3397594

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)C(c1ccc(F)cc1)N(c1nc(C)c(C)s1)C3=O
InChIInChI=1S/C23H17FN2O3S/c1-11-4-9-17-16(10-11)20(27)18-19(14-5-7-15(24)8-6-14)26(22(28)21(18)29-17)23-25-12(2)13(3)30-23/h4-10,19H,1-3H3
InChIKeyUHKXPEJICWFQDU-UHFFFAOYSA-N
MW420.47 g/mol
LogP5.06
Rot. Bonds2

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3397594) has the molecular formula C23H17FN2O3S and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID3397594
Molecular FormulaC23H17FN2O3S
Molecular Weight420.47 g/mol
Exact Mass420.09
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)C(c1ccc(F)cc1)N(c1nc(C)c(C)s1)C3=O
InChIInChI=1S/C23H17FN2O3S/c1-11-4-9-17-16(10-11)20(27)18-19(14-5-7-15(24)8-6-14)26(22(28)21(18)29-17)23-25-12(2)13(3)30-23/h4-10,19H,1-3H3
InChIKeyUHKXPEJICWFQDU-UHFFFAOYSA-N
XLogP5.06
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.06
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-(4-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3397594) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-7-methyl-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-(4-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(F)cc1)N(c1nc(C)c(C)s1)C3=O.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is UHKXPEJICWFQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O3S/c1-11-4-9-17-16(10-11)20(27)18-19(14-5-7-15(24)8-6-14)26(22(28)21(18)29-17)23-25-12(2)13(3)30-23/h4-10,19H,1-3H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 420.47 g/mol, XLogP of 5.06, 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-(4-fluorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3397594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).