1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide

C24H23N3O2S — CID 134081993

IUPAC1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
SMILESCOc1ccc(CCn2c(-c3csc(-c4ccccc4)n3)cc(C(N)=O)c2C)cc1
InChIInChI=1S/C24H23N3O2S/c1-16-20(23(25)28)14-22(21-15-30-24(26-21)18-6-4-3-5-7-18)27(16)13-12-17-8-10-19(29-2)11-9-17/h3-11,14-15H,12-13H2,1-2H3,(H2,25,28)
InChIKeyAKZAABJIUZYCIJ-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.94
Rot. Bonds7

About 1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide

1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide (PubChem CID 134081993) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
PubChem CID134081993
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
SMILESCOc1ccc(CCn2c(-c3csc(-c4ccccc4)n3)cc(C(N)=O)c2C)cc1
InChIInChI=1S/C24H23N3O2S/c1-16-20(23(25)28)14-22(21-15-30-24(26-21)18-6-4-3-5-7-18)27(16)13-12-17-8-10-19(29-2)11-9-17/h3-11,14-15H,12-13H2,1-2H3,(H2,25,28)
InChIKeyAKZAABJIUZYCIJ-UHFFFAOYSA-N
XLogP4.94
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide 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-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide (CID 134081993) is 1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide is COc1ccc(CCn2c(-c3csc(-c4ccccc4)n3)cc(C(N)=O)c2C)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?
The InChIKey is AKZAABJIUZYCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-16-20(23(25)28)14-22(21-15-30-24(26-21)18-6-4-3-5-7-18)27(16)13-12-17-8-10-19(29-2)11-9-17/h3-11,14-15H,12-13H2,1-2H3,(H2,25,28).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 134081993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).