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

C21H13FN2O3S2 — CID 4708448

IUPAC7-fluoro-1-(4-methylsulfanylphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCSc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nccs2)cc1
InChIInChI=1S/C21H13FN2O3S2/c1-28-13-5-2-11(3-6-13)17-16-18(25)14-10-12(22)4-7-15(14)27-19(16)20(26)24(17)21-23-8-9-29-21/h2-10,17H,1H3
InChIKeyNFTYYFAPTMTWAF-UHFFFAOYSA-N
MW424.48 g/mol
LogP4.86
Rot. Bonds3

About 7-fluoro-1-(4-methylsulfanylphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-fluoro-1-(4-methylsulfanylphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4708448) has the molecular formula C21H13FN2O3S2 and a molecular weight of 424.48 g/mol. Its IUPAC name is 7-fluoro-1-(4-methylsulfanylphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-fluoro-1-(4-methylsulfanylphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4708448
Molecular FormulaC21H13FN2O3S2
Molecular Weight424.48 g/mol
Exact Mass424.04
IUPAC Name7-fluoro-1-(4-methylsulfanylphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCSc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nccs2)cc1
InChIInChI=1S/C21H13FN2O3S2/c1-28-13-5-2-11(3-6-13)17-16-18(25)14-10-12(22)4-7-15(14)27-19(16)20(26)24(17)21-23-8-9-29-21/h2-10,17H,1H3
InChIKeyNFTYYFAPTMTWAF-UHFFFAOYSA-N
XLogP4.86
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(4-methylsulfanylphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-fluoro-1-(4-methylsulfanylphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4708448) is 7-fluoro-1-(4-methylsulfanylphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-fluoro-1-(4-methylsulfanylphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-fluoro-1-(4-methylsulfanylphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CSc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nccs2)cc1.
What is the InChIKey of 7-fluoro-1-(4-methylsulfanylphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is NFTYYFAPTMTWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN2O3S2/c1-28-13-5-2-11(3-6-13)17-16-18(25)14-10-12(22)4-7-15(14)27-19(16)20(26)24(17)21-23-8-9-29-21/h2-10,17H,1H3.
What are the key properties of 7-fluoro-1-(4-methylsulfanylphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-fluoro-1-(4-methylsulfanylphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 424.48 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(4-methylsulfanylphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4708448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).