[1-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone

C23H19FN2O4S — CID 164611560

IUPAC[1-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cn(-c3ccc(F)cc3)cc2-c2nccs2)cc(OC)c1OC
InChIInChI=1S/C23H19FN2O4S/c1-28-19-10-14(11-20(29-2)22(19)30-3)21(27)17-12-26(16-6-4-15(24)5-7-16)13-18(17)23-25-8-9-31-23/h4-13H,1-3H3
InChIKeyXUHMOSQRNCVDIH-UHFFFAOYSA-N
MW438.48 g/mol
LogP5.00
Rot. Bonds7

About [1-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone

[1-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 164611560) has the molecular formula C23H19FN2O4S and a molecular weight of 438.48 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID164611560
Molecular FormulaC23H19FN2O4S
Molecular Weight438.48 g/mol
Exact Mass438.10
IUPAC Name[1-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cn(-c3ccc(F)cc3)cc2-c2nccs2)cc(OC)c1OC
InChIInChI=1S/C23H19FN2O4S/c1-28-19-10-14(11-20(29-2)22(19)30-3)21(27)17-12-26(16-6-4-15(24)5-7-16)13-18(17)23-25-8-9-31-23/h4-13H,1-3H3
InChIKeyXUHMOSQRNCVDIH-UHFFFAOYSA-N
XLogP5.00
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [1-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 164611560) is [1-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cn(-c3ccc(F)cc3)cc2-c2nccs2)cc(OC)c1OC.
What is the InChIKey of [1-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is XUHMOSQRNCVDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4S/c1-28-19-10-14(11-20(29-2)22(19)30-3)21(27)17-12-26(16-6-4-15(24)5-7-16)13-18(17)23-25-8-9-31-23/h4-13H,1-3H3.
What are the key properties of [1-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
[1-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 438.48 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 164611560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).