2-(chloromethyl)-4-methoxy-5-methyl-1,3-thiazole

C6H8ClNOS — CID 139022366

IUPAC2-(chloromethyl)-4-methoxy-5-methyl-1,3-thiazole
SMILESCOc1nc(CCl)sc1C
InChIInChI=1S/C6H8ClNOS/c1-4-6(9-2)8-5(3-7)10-4/h3H2,1-2H3
InChIKeyXZWJVPSNWIMKLS-UHFFFAOYSA-N
MW177.66 g/mol
LogP2.20
Rot. Bonds2

About 2-(chloromethyl)-4-methoxy-5-methyl-1,3-thiazole

2-(chloromethyl)-4-methoxy-5-methyl-1,3-thiazole (PubChem CID 139022366) has the molecular formula C6H8ClNOS and a molecular weight of 177.66 g/mol. Its IUPAC name is 2-(chloromethyl)-4-methoxy-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(chloromethyl)-4-methoxy-5-methyl-1,3-thiazole
PubChem CID139022366
Molecular FormulaC6H8ClNOS
Molecular Weight177.66 g/mol
Exact Mass177.00
IUPAC Name2-(chloromethyl)-4-methoxy-5-methyl-1,3-thiazole
SMILESCOc1nc(CCl)sc1C
InChIInChI=1S/C6H8ClNOS/c1-4-6(9-2)8-5(3-7)10-4/h3H2,1-2H3
InChIKeyXZWJVPSNWIMKLS-UHFFFAOYSA-N
XLogP2.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.66
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-methoxy-5-methyl-1,3-thiazole?
The IUPAC name of 2-(chloromethyl)-4-methoxy-5-methyl-1,3-thiazole (CID 139022366) is 2-(chloromethyl)-4-methoxy-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(chloromethyl)-4-methoxy-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(chloromethyl)-4-methoxy-5-methyl-1,3-thiazole is COc1nc(CCl)sc1C.
What is the InChIKey of 2-(chloromethyl)-4-methoxy-5-methyl-1,3-thiazole?
The InChIKey is XZWJVPSNWIMKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNOS/c1-4-6(9-2)8-5(3-7)10-4/h3H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4-methoxy-5-methyl-1,3-thiazole?
2-(chloromethyl)-4-methoxy-5-methyl-1,3-thiazole has a molecular weight of 177.66 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-methoxy-5-methyl-1,3-thiazole is sourced from PubChem (CID 139022366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).