1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C18H11N3O4S — CID 4220055

IUPAC1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccco2)s1
InChIInChI=1S/C18H11N3O4S/c1-9-19-20-18(26-9)21-14(12-7-4-8-24-12)13-15(22)10-5-2-3-6-11(10)25-16(13)17(21)23/h2-8,14H,1H3
InChIKeyGAYRBSIQRGNJMS-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.30
Rot. Bonds2

About 1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4220055) has the molecular formula C18H11N3O4S and a molecular weight of 365.37 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4220055
Molecular FormulaC18H11N3O4S
Molecular Weight365.37 g/mol
Exact Mass365.05
IUPAC Name1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccco2)s1
InChIInChI=1S/C18H11N3O4S/c1-9-19-20-18(26-9)21-14(12-7-4-8-24-12)13-15(22)10-5-2-3-6-11(10)25-16(13)17(21)23/h2-8,14H,1H3
InChIKeyGAYRBSIQRGNJMS-UHFFFAOYSA-N
XLogP3.30
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4220055) is 1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccco2)s1.
What is the InChIKey of 1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is GAYRBSIQRGNJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O4S/c1-9-19-20-18(26-9)21-14(12-7-4-8-24-12)13-15(22)10-5-2-3-6-11(10)25-16(13)17(21)23/h2-8,14H,1H3.
What are the key properties of 1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 365.37 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4220055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).