N-[4-[2-(4-cyanophenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

C23H17N5OS — CID 172721887

IUPACN-[4-[2-(4-cyanophenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESN#Cc1ccc(C=Cc2csc(NC(=O)c3cccn3Cc3ccncc3)n2)cc1
InChIInChI=1S/C23H17N5OS/c24-14-18-5-3-17(4-6-18)7-8-20-16-30-23(26-20)27-22(29)21-2-1-13-28(21)15-19-9-11-25-12-10-19/h1-13,16H,15H2,(H,26,27,29)
InChIKeyGPWIMNAARFJHON-UHFFFAOYSA-N
MW411.49 g/mol
LogP4.68
Rot. Bonds6

About N-[4-[2-(4-cyanophenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

N-[4-[2-(4-cyanophenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (PubChem CID 172721887) has the molecular formula C23H17N5OS and a molecular weight of 411.49 g/mol. Its IUPAC name is N-[4-[2-(4-cyanophenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-cyanophenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
PubChem CID172721887
Molecular FormulaC23H17N5OS
Molecular Weight411.49 g/mol
Exact Mass411.12
IUPAC NameN-[4-[2-(4-cyanophenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESN#Cc1ccc(C=Cc2csc(NC(=O)c3cccn3Cc3ccncc3)n2)cc1
InChIInChI=1S/C23H17N5OS/c24-14-18-5-3-17(4-6-18)7-8-20-16-30-23(26-20)27-22(29)21-2-1-13-28(21)15-19-9-11-25-12-10-19/h1-13,16H,15H2,(H,26,27,29)
InChIKeyGPWIMNAARFJHON-UHFFFAOYSA-N
XLogP4.68
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-(4-cyanophenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-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 N-[4-[2-(4-cyanophenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of N-[4-[2-(4-cyanophenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (CID 172721887) is N-[4-[2-(4-cyanophenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[4-[2-(4-cyanophenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[4-[2-(4-cyanophenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is N#Cc1ccc(C=Cc2csc(NC(=O)c3cccn3Cc3ccncc3)n2)cc1.
What is the InChIKey of N-[4-[2-(4-cyanophenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is GPWIMNAARFJHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5OS/c24-14-18-5-3-17(4-6-18)7-8-20-16-30-23(26-20)27-22(29)21-2-1-13-28(21)15-19-9-11-25-12-10-19/h1-13,16H,15H2,(H,26,27,29).
What are the key properties of N-[4-[2-(4-cyanophenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
N-[4-[2-(4-cyanophenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-cyanophenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 172721887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).