2-(6-chloro-3-pyridinyl)-4-(3-phenylphenyl)-1,3-thiazole

C20H13ClN2S — CID 130289144

IUPAC2-(6-chloro-3-pyridinyl)-4-(3-phenylphenyl)-1,3-thiazole
SMILESClc1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)cs2)cn1
InChIInChI=1S/C20H13ClN2S/c21-19-10-9-17(12-22-19)20-23-18(13-24-20)16-8-4-7-15(11-16)14-5-2-1-3-6-14/h1-13H
InChIKeyDHSOHQRQMFRNCY-UHFFFAOYSA-N
MW348.86 g/mol
LogP6.19
Rot. Bonds3

About 2-(6-chloro-3-pyridinyl)-4-(3-phenylphenyl)-1,3-thiazole

2-(6-chloro-3-pyridinyl)-4-(3-phenylphenyl)-1,3-thiazole (PubChem CID 130289144) has the molecular formula C20H13ClN2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-4-(3-phenylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-4-(3-phenylphenyl)-1,3-thiazole
PubChem CID130289144
Molecular FormulaC20H13ClN2S
Molecular Weight348.86 g/mol
Exact Mass348.05
IUPAC Name2-(6-chloro-3-pyridinyl)-4-(3-phenylphenyl)-1,3-thiazole
SMILESClc1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)cs2)cn1
InChIInChI=1S/C20H13ClN2S/c21-19-10-9-17(12-22-19)20-23-18(13-24-20)16-8-4-7-15(11-16)14-5-2-1-3-6-14/h1-13H
InChIKeyDHSOHQRQMFRNCY-UHFFFAOYSA-N
XLogP6.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.86
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)-4-(3-phenylphenyl)-1,3-thiazole?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-4-(3-phenylphenyl)-1,3-thiazole (CID 130289144) is 2-(6-chloro-3-pyridinyl)-4-(3-phenylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-4-(3-phenylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-4-(3-phenylphenyl)-1,3-thiazole is Clc1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)cs2)cn1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-4-(3-phenylphenyl)-1,3-thiazole?
The InChIKey is DHSOHQRQMFRNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2S/c21-19-10-9-17(12-22-19)20-23-18(13-24-20)16-8-4-7-15(11-16)14-5-2-1-3-6-14/h1-13H.
What are the key properties of 2-(6-chloro-3-pyridinyl)-4-(3-phenylphenyl)-1,3-thiazole?
2-(6-chloro-3-pyridinyl)-4-(3-phenylphenyl)-1,3-thiazole has a molecular weight of 348.86 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-4-(3-phenylphenyl)-1,3-thiazole is sourced from PubChem (CID 130289144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).