2-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H19N3O5S — CID 23472409

IUPAC2-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1nnc(N2C(=O)c3oc4cc(OC)ccc4c(=O)c3C2c2ccccc2OC)s1
InChIInChI=1S/C23H19N3O5S/c1-4-17-24-25-23(32-17)26-19(13-7-5-6-8-15(13)30-3)18-20(27)14-10-9-12(29-2)11-16(14)31-21(18)22(26)28/h5-11,19H,4H2,1-3H3
InChIKeyXVYZIPSCOYJKDU-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.97
Rot. Bonds5

About 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 23472409) has the molecular formula C23H19N3O5S and a molecular weight of 449.49 g/mol. Its IUPAC name is 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID23472409
Molecular FormulaC23H19N3O5S
Molecular Weight449.49 g/mol
Exact Mass449.10
IUPAC Name2-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1nnc(N2C(=O)c3oc4cc(OC)ccc4c(=O)c3C2c2ccccc2OC)s1
InChIInChI=1S/C23H19N3O5S/c1-4-17-24-25-23(32-17)26-19(13-7-5-6-8-15(13)30-3)18-20(27)14-10-9-12(29-2)11-16(14)31-21(18)22(26)28/h5-11,19H,4H2,1-3H3
InChIKeyXVYZIPSCOYJKDU-UHFFFAOYSA-N
XLogP3.97
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472407
2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707129
2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4535361
(1R)-1-(2,5-dimethoxyphenyl)-6-methoxy-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41067586
2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methoxy-4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707108
(1S)-6-methoxy-1-(4-methoxyphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41029567
(1R)-1-(4-fluorophenyl)-6-methoxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 92946409
6-ethoxy-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472752
2-[3-(diethylamino)propyl]-6-methoxy-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472318
(1S)-1-(4-bromophenyl)-6-methoxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40986325
1-(2,3-dimethoxyphenyl)-6,7-dimethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23471772
1-(4-butoxyphenyl)-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707345

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 23472409) is 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCc1nnc(N2C(=O)c3oc4cc(OC)ccc4c(=O)c3C2c2ccccc2OC)s1.
What is the InChIKey of 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is XVYZIPSCOYJKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5S/c1-4-17-24-25-23(32-17)26-19(13-7-5-6-8-15(13)30-3)18-20(27)14-10-9-12(29-2)11-16(14)31-21(18)22(26)28/h5-11,19H,4H2,1-3H3.
What are the key properties of 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 449.49 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methoxy-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 23472409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).