2-(chloromethyl)-5-phenyl-1,3-thiazole

C10H8ClNS — CID 46785018

IUPAC2-(chloromethyl)-5-phenyl-1,3-thiazole
SMILESClCc1ncc(-c2ccccc2)s1
InChIInChI=1S/C10H8ClNS/c11-6-10-12-7-9(13-10)8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyJEJHXSCVDJNWCE-UHFFFAOYSA-N
MW209.70 g/mol
LogP3.55
Rot. Bonds2

About 2-(chloromethyl)-5-phenyl-1,3-thiazole

2-(chloromethyl)-5-phenyl-1,3-thiazole (PubChem CID 46785018) has the molecular formula C10H8ClNS and a molecular weight of 209.70 g/mol. Its IUPAC name is 2-(chloromethyl)-5-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-phenyl-1,3-thiazole
PubChem CID46785018
Molecular FormulaC10H8ClNS
Molecular Weight209.70 g/mol
Exact Mass209.01
IUPAC Name2-(chloromethyl)-5-phenyl-1,3-thiazole
SMILESClCc1ncc(-c2ccccc2)s1
InChIInChI=1S/C10H8ClNS/c11-6-10-12-7-9(13-10)8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyJEJHXSCVDJNWCE-UHFFFAOYSA-N
XLogP3.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.70
LogP ≤ 53.55
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 2-(chloromethyl)-5-phenyl-1,3-thiazole?
The IUPAC name of 2-(chloromethyl)-5-phenyl-1,3-thiazole (CID 46785018) is 2-(chloromethyl)-5-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(chloromethyl)-5-phenyl-1,3-thiazole?
The canonical SMILES for 2-(chloromethyl)-5-phenyl-1,3-thiazole is ClCc1ncc(-c2ccccc2)s1.
What is the InChIKey of 2-(chloromethyl)-5-phenyl-1,3-thiazole?
The InChIKey is JEJHXSCVDJNWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNS/c11-6-10-12-7-9(13-10)8-4-2-1-3-5-8/h1-5,7H,6H2.
What are the key properties of 2-(chloromethyl)-5-phenyl-1,3-thiazole?
2-(chloromethyl)-5-phenyl-1,3-thiazole has a molecular weight of 209.70 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-phenyl-1,3-thiazole is sourced from PubChem (CID 46785018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).