[2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone

C20H18ClN3OS — CID 56663548

IUPAC[2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone
SMILESCc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1nccs1
InChIInChI=1S/C20H18ClN3OS/c1-13-10-17(14-4-2-5-15(21)11-14)23-12-16(13)18-6-3-8-24(18)20(25)19-22-7-9-26-19/h2,4-5,7,9-12,18H,3,6,8H2,1H3
InChIKeyGCSDBTCZHROCLZ-UHFFFAOYSA-N
MW383.90 g/mol
LogP5.14
Rot. Bonds3

About [2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone

[2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone (PubChem CID 56663548) has the molecular formula C20H18ClN3OS and a molecular weight of 383.90 g/mol. Its IUPAC name is [2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone
PubChem CID56663548
Molecular FormulaC20H18ClN3OS
Molecular Weight383.90 g/mol
Exact Mass383.09
IUPAC Name[2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone
SMILESCc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1nccs1
InChIInChI=1S/C20H18ClN3OS/c1-13-10-17(14-4-2-5-15(21)11-14)23-12-16(13)18-6-3-8-24(18)20(25)19-22-7-9-26-19/h2,4-5,7,9-12,18H,3,6,8H2,1H3
InChIKeyGCSDBTCZHROCLZ-UHFFFAOYSA-N
XLogP5.14
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.90
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chlorophenyl)-4-methyl-5-[(2R)-1-[(1,3-thiazol-2-yl)carbonyl]pyrrolidin-2-yl]pyridine
CID 53380924
1-[3-(2-Chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653897
15-(4-Chlorophenyl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one
CID 44291154
N4-(4-chlorobenzyl)-2-(3-pyridyl)-1,3-thiazole-4-carboxamide
CID 2824334
1-[3-(2-Methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 118196917
1-[3-(4-Chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653972
1-[3-Fluoro-5-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653979
1-[3-(3-Chlorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653997
1-[4-Fluoro-3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122654040
1-[3-(3-Methyl-2-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122659523
2-[(2Z)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(2-chloropyridin-3-yl)acetamide
CID 2120748
[2-[6-(3-Chlorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 56660085

Frequently Asked Questions

What is the IUPAC name of [2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone?
The IUPAC name of [2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone (CID 56663548) is [2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for [2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone is Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1nccs1.
What is the InChIKey of [2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone?
The InChIKey is GCSDBTCZHROCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3OS/c1-13-10-17(14-4-2-5-15(21)11-14)23-12-16(13)18-6-3-8-24(18)20(25)19-22-7-9-26-19/h2,4-5,7,9-12,18H,3,6,8H2,1H3.
What are the key properties of [2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone?
[2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone has a molecular weight of 383.90 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(3-chlorophenyl)-4-methyl-3-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 56663548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).