4-(4-chlorophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole

C19H17ClN2S — CID 2921946

IUPAC4-(4-chlorophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole
SMILESClc1ccc(-c2csc(N3CCC(c4ccccc4)C3)n2)cc1
InChIInChI=1S/C19H17ClN2S/c20-17-8-6-15(7-9-17)18-13-23-19(21-18)22-11-10-16(12-22)14-4-2-1-3-5-14/h1-9,13,16H,10-12H2
InChIKeyRJJPDKWWEKHSDV-UHFFFAOYSA-N
MW340.88 g/mol
LogP5.46
Rot. Bonds3

About 4-(4-chlorophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole

4-(4-chlorophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole (PubChem CID 2921946) has the molecular formula C19H17ClN2S and a molecular weight of 340.88 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole
PubChem CID2921946
Molecular FormulaC19H17ClN2S
Molecular Weight340.88 g/mol
Exact Mass340.08
IUPAC Name4-(4-chlorophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole
SMILESClc1ccc(-c2csc(N3CCC(c4ccccc4)C3)n2)cc1
InChIInChI=1S/C19H17ClN2S/c20-17-8-6-15(7-9-17)18-13-23-19(21-18)22-11-10-16(12-22)14-4-2-1-3-5-14/h1-9,13,16H,10-12H2
InChIKeyRJJPDKWWEKHSDV-UHFFFAOYSA-N
XLogP5.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.88
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-chlorophenyl)-2-(3-phenylpyrrolidin-1-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-chlorophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole (CID 2921946) is 4-(4-chlorophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole is Clc1ccc(-c2csc(N3CCC(c4ccccc4)C3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole?
The InChIKey is RJJPDKWWEKHSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2S/c20-17-8-6-15(7-9-17)18-13-23-19(21-18)22-11-10-16(12-22)14-4-2-1-3-5-14/h1-9,13,16H,10-12H2.
What are the key properties of 4-(4-chlorophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole?
4-(4-chlorophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole has a molecular weight of 340.88 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 2921946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).