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

C8H4Cl2N2S — CID 173285158

IUPAC2-chloro-4-(6-chloro-3-pyridinyl)-1,3-thiazole
SMILESClc1ccc(-c2csc(Cl)n2)cn1
InChIInChI=1S/C8H4Cl2N2S/c9-7-2-1-5(3-11-7)6-4-13-8(10)12-6/h1-4H
InChIKeyOKEUTUCUZNHDQD-UHFFFAOYSA-N
MW231.11 g/mol
LogP3.51
Rot. Bonds1

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

2-chloro-4-(6-chloro-3-pyridinyl)-1,3-thiazole (PubChem CID 173285158) has the molecular formula C8H4Cl2N2S and a molecular weight of 231.11 g/mol. Its IUPAC name is 2-chloro-4-(6-chloro-3-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-(6-chloro-3-pyridinyl)-1,3-thiazole
PubChem CID173285158
Molecular FormulaC8H4Cl2N2S
Molecular Weight231.11 g/mol
Exact Mass229.95
IUPAC Name2-chloro-4-(6-chloro-3-pyridinyl)-1,3-thiazole
SMILESClc1ccc(-c2csc(Cl)n2)cn1
InChIInChI=1S/C8H4Cl2N2S/c9-7-2-1-5(3-11-7)6-4-13-8(10)12-6/h1-4H
InChIKeyOKEUTUCUZNHDQD-UHFFFAOYSA-N
XLogP3.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.11
LogP ≤ 53.51
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-chloro-4-(6-chloro-3-pyridinyl)-1,3-thiazole?
The IUPAC name of 2-chloro-4-(6-chloro-3-pyridinyl)-1,3-thiazole (CID 173285158) is 2-chloro-4-(6-chloro-3-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-(6-chloro-3-pyridinyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-4-(6-chloro-3-pyridinyl)-1,3-thiazole is Clc1ccc(-c2csc(Cl)n2)cn1.
What is the InChIKey of 2-chloro-4-(6-chloro-3-pyridinyl)-1,3-thiazole?
The InChIKey is OKEUTUCUZNHDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2S/c9-7-2-1-5(3-11-7)6-4-13-8(10)12-6/h1-4H.
What are the key properties of 2-chloro-4-(6-chloro-3-pyridinyl)-1,3-thiazole?
2-chloro-4-(6-chloro-3-pyridinyl)-1,3-thiazole has a molecular weight of 231.11 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(6-chloro-3-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 173285158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).