4-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole

C15H18N2OS — CID 62539820

IUPAC4-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole
SMILESCCOc1ccc(-c2csc(C3CCCN3)n2)cc1
InChIInChI=1S/C15H18N2OS/c1-2-18-12-7-5-11(6-8-12)14-10-19-15(17-14)13-4-3-9-16-13/h5-8,10,13,16H,2-4,9H2,1H3
InChIKeyFIZNSRUGOOQKOH-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.63
Rot. Bonds4

About 4-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole

4-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole (PubChem CID 62539820) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole
PubChem CID62539820
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name4-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole
SMILESCCOc1ccc(-c2csc(C3CCCN3)n2)cc1
InChIInChI=1S/C15H18N2OS/c1-2-18-12-7-5-11(6-8-12)14-10-19-15(17-14)13-4-3-9-16-13/h5-8,10,13,16H,2-4,9H2,1H3
InChIKeyFIZNSRUGOOQKOH-UHFFFAOYSA-N
XLogP3.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-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 4-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole?
The IUPAC name of 4-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole (CID 62539820) is 4-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole?
The canonical SMILES for 4-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole is CCOc1ccc(-c2csc(C3CCCN3)n2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole?
The InChIKey is FIZNSRUGOOQKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-2-18-12-7-5-11(6-8-12)14-10-19-15(17-14)13-4-3-9-16-13/h5-8,10,13,16H,2-4,9H2,1H3.
What are the key properties of 4-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole?
4-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole has a molecular weight of 274.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole is sourced from PubChem (CID 62539820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).