2-(2-propyl-4-pyridinyl)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole

C23H27N3OS — CID 118709522

IUPAC2-(2-propyl-4-pyridinyl)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccc(OCCN4CCCC4)cc3)cs2)ccn1
InChIInChI=1S/C23H27N3OS/c1-2-5-20-16-19(10-11-24-20)23-25-22(17-28-23)18-6-8-21(9-7-18)27-15-14-26-12-3-4-13-26/h6-11,16-17H,2-5,12-15H2,1H3
InChIKeyRNIZOVXCXQKNGO-UHFFFAOYSA-N
MW393.56 g/mol
LogP5.30
Rot. Bonds8

About 2-(2-propyl-4-pyridinyl)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole

2-(2-propyl-4-pyridinyl)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole (PubChem CID 118709522) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is 2-(2-propyl-4-pyridinyl)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2-propyl-4-pyridinyl)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole
PubChem CID118709522
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC Name2-(2-propyl-4-pyridinyl)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccc(OCCN4CCCC4)cc3)cs2)ccn1
InChIInChI=1S/C23H27N3OS/c1-2-5-20-16-19(10-11-24-20)23-25-22(17-28-23)18-6-8-21(9-7-18)27-15-14-26-12-3-4-13-26/h6-11,16-17H,2-5,12-15H2,1H3
InChIKeyRNIZOVXCXQKNGO-UHFFFAOYSA-N
XLogP5.30
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.56
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-propyl-4-pyridinyl)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole 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 2-(2-propyl-4-pyridinyl)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole?
The IUPAC name of 2-(2-propyl-4-pyridinyl)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole (CID 118709522) is 2-(2-propyl-4-pyridinyl)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-(2-propyl-4-pyridinyl)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole?
The canonical SMILES for 2-(2-propyl-4-pyridinyl)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole is CCCc1cc(-c2nc(-c3ccc(OCCN4CCCC4)cc3)cs2)ccn1.
What is the InChIKey of 2-(2-propyl-4-pyridinyl)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole?
The InChIKey is RNIZOVXCXQKNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-2-5-20-16-19(10-11-24-20)23-25-22(17-28-23)18-6-8-21(9-7-18)27-15-14-26-12-3-4-13-26/h6-11,16-17H,2-5,12-15H2,1H3.
What are the key properties of 2-(2-propyl-4-pyridinyl)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole?
2-(2-propyl-4-pyridinyl)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole has a molecular weight of 393.56 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propyl-4-pyridinyl)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole is sourced from PubChem (CID 118709522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).