4-[(6-chloro-2-pyridinyl)methylsulfonyl]-2-methyl-1,3-thiazole

C10H9ClN2O2S2 — CID 167887084

IUPAC4-[(6-chloro-2-pyridinyl)methylsulfonyl]-2-methyl-1,3-thiazole
SMILESCc1nc(S(=O)(=O)Cc2cccc(Cl)n2)cs1
InChIInChI=1S/C10H9ClN2O2S2/c1-7-12-10(5-16-7)17(14,15)6-8-3-2-4-9(11)13-8/h2-5H,6H2,1H3
InChIKeyIAXOCKPHACDVFK-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.47
Rot. Bonds3

About 4-[(6-chloro-2-pyridinyl)methylsulfonyl]-2-methyl-1,3-thiazole

4-[(6-chloro-2-pyridinyl)methylsulfonyl]-2-methyl-1,3-thiazole (PubChem CID 167887084) has the molecular formula C10H9ClN2O2S2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-[(6-chloro-2-pyridinyl)methylsulfonyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(6-chloro-2-pyridinyl)methylsulfonyl]-2-methyl-1,3-thiazole
PubChem CID167887084
Molecular FormulaC10H9ClN2O2S2
Molecular Weight288.78 g/mol
Exact Mass287.98
IUPAC Name4-[(6-chloro-2-pyridinyl)methylsulfonyl]-2-methyl-1,3-thiazole
SMILESCc1nc(S(=O)(=O)Cc2cccc(Cl)n2)cs1
InChIInChI=1S/C10H9ClN2O2S2/c1-7-12-10(5-16-7)17(14,15)6-8-3-2-4-9(11)13-8/h2-5H,6H2,1H3
InChIKeyIAXOCKPHACDVFK-UHFFFAOYSA-N
XLogP2.47
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(6-chloro-2-pyridinyl)methylsulfonyl]-2-methyl-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-[(6-chloro-2-pyridinyl)methylsulfonyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(6-chloro-2-pyridinyl)methylsulfonyl]-2-methyl-1,3-thiazole (CID 167887084) is 4-[(6-chloro-2-pyridinyl)methylsulfonyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(6-chloro-2-pyridinyl)methylsulfonyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(6-chloro-2-pyridinyl)methylsulfonyl]-2-methyl-1,3-thiazole is Cc1nc(S(=O)(=O)Cc2cccc(Cl)n2)cs1.
What is the InChIKey of 4-[(6-chloro-2-pyridinyl)methylsulfonyl]-2-methyl-1,3-thiazole?
The InChIKey is IAXOCKPHACDVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S2/c1-7-12-10(5-16-7)17(14,15)6-8-3-2-4-9(11)13-8/h2-5H,6H2,1H3.
What are the key properties of 4-[(6-chloro-2-pyridinyl)methylsulfonyl]-2-methyl-1,3-thiazole?
4-[(6-chloro-2-pyridinyl)methylsulfonyl]-2-methyl-1,3-thiazole has a molecular weight of 288.78 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-2-pyridinyl)methylsulfonyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 167887084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).