5-(chloromethyl)-2,4-dimethyl-1,3-thiazole

C6H8ClNS — CID 15023058

IUPAC5-(chloromethyl)-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(CCl)s1
InChIInChI=1S/C6H8ClNS/c1-4-6(3-7)9-5(2)8-4/h3H2,1-2H3
InChIKeyMUJKKGTZMLWMIH-UHFFFAOYSA-N
MW161.66 g/mol
LogP2.50
Rot. Bonds1

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

5-(chloromethyl)-2,4-dimethyl-1,3-thiazole (PubChem CID 15023058) has the molecular formula C6H8ClNS and a molecular weight of 161.66 g/mol. Its IUPAC name is 5-(chloromethyl)-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-2,4-dimethyl-1,3-thiazole
PubChem CID15023058
Molecular FormulaC6H8ClNS
Molecular Weight161.66 g/mol
Exact Mass161.01
IUPAC Name5-(chloromethyl)-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(CCl)s1
InChIInChI=1S/C6H8ClNS/c1-4-6(3-7)9-5(2)8-4/h3H2,1-2H3
InChIKeyMUJKKGTZMLWMIH-UHFFFAOYSA-N
XLogP2.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.66
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-(chloromethyl)-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-(chloromethyl)-2,4-dimethyl-1,3-thiazole (CID 15023058) is 5-(chloromethyl)-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-(chloromethyl)-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-(chloromethyl)-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(CCl)s1.
What is the InChIKey of 5-(chloromethyl)-2,4-dimethyl-1,3-thiazole?
The InChIKey is MUJKKGTZMLWMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNS/c1-4-6(3-7)9-5(2)8-4/h3H2,1-2H3.
What are the key properties of 5-(chloromethyl)-2,4-dimethyl-1,3-thiazole?
5-(chloromethyl)-2,4-dimethyl-1,3-thiazole has a molecular weight of 161.66 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 15023058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).