2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H24FN3O5S — CID 4707378

IUPAC2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccc(OCC(C)C)c(OC)c2)s1
InChIInChI=1S/C26H24FN3O5S/c1-5-20-28-29-26(36-20)30-22(14-6-8-18(19(10-14)33-4)34-12-13(2)3)21-23(31)16-11-15(27)7-9-17(16)35-24(21)25(30)32/h6-11,13,22H,5,12H2,1-4H3
InChIKeyUQWJGPZHBNTOGT-UHFFFAOYSA-N
MW509.56 g/mol
LogP5.14
Rot. Bonds7

About 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4707378) has the molecular formula C26H24FN3O5S and a molecular weight of 509.56 g/mol. Its IUPAC name is 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4707378
Molecular FormulaC26H24FN3O5S
Molecular Weight509.56 g/mol
Exact Mass509.14
IUPAC Name2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccc(OCC(C)C)c(OC)c2)s1
InChIInChI=1S/C26H24FN3O5S/c1-5-20-28-29-26(36-20)30-22(14-6-8-18(19(10-14)33-4)34-12-13(2)3)21-23(31)16-11-15(27)7-9-17(16)35-24(21)25(30)32/h6-11,13,22H,5,12H2,1-4H3
InChIKeyUQWJGPZHBNTOGT-UHFFFAOYSA-N
XLogP5.14
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.56
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-butoxy-3-methoxyphenyl)-7-fluoro-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820764
(1S)-1-(4-ethoxy-3-methoxyphenyl)-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2009400
2-(3-chlorophenyl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856302
1-(3,4-dimethoxyphenyl)-7-fluoro-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707056
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
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
1-(4-tert-butylphenyl)-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707337
(1S)-7-chloro-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2067920
7-fluoro-2-[(4-fluorophenyl)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810457
1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819275
2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-hydroxy-3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707156
7-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707069

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4707378) is 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccc(OCC(C)C)c(OC)c2)s1.
What is the InChIKey of 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is UQWJGPZHBNTOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O5S/c1-5-20-28-29-26(36-20)30-22(14-6-8-18(19(10-14)33-4)34-12-13(2)3)21-23(31)16-11-15(27)7-9-17(16)35-24(21)25(30)32/h6-11,13,22H,5,12H2,1-4H3.
What are the key properties of 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 509.56 g/mol, XLogP of 5.14, 7 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)-7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4707378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).