5-(dichloromethyl)-1,2-thiazole

C4H3Cl2NS — CID 174910086

IUPAC5-(dichloromethyl)-1,2-thiazole
SMILESClC(Cl)c1ccns1
InChIInChI=1S/C4H3Cl2NS/c5-4(6)3-1-2-7-8-3/h1-2,4H
InChIKeyOQWDOHOCUXYANW-UHFFFAOYSA-N
MW168.05 g/mol
LogP2.62
Rot. Bonds1

About 5-(dichloromethyl)-1,2-thiazole

5-(dichloromethyl)-1,2-thiazole (PubChem CID 174910086) has the molecular formula C4H3Cl2NS and a molecular weight of 168.05 g/mol. Its IUPAC name is 5-(dichloromethyl)-1,2-thiazole.

Molecular Properties

Compound Name5-(dichloromethyl)-1,2-thiazole
PubChem CID174910086
Molecular FormulaC4H3Cl2NS
Molecular Weight168.05 g/mol
Exact Mass166.94
IUPAC Name5-(dichloromethyl)-1,2-thiazole
SMILESClC(Cl)c1ccns1
InChIInChI=1S/C4H3Cl2NS/c5-4(6)3-1-2-7-8-3/h1-2,4H
InChIKeyOQWDOHOCUXYANW-UHFFFAOYSA-N
XLogP2.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.05
LogP ≤ 52.62
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-(dichloromethyl)-1,2-thiazole?
The IUPAC name of 5-(dichloromethyl)-1,2-thiazole (CID 174910086) is 5-(dichloromethyl)-1,2-thiazole.
What is the SMILES notation for 5-(dichloromethyl)-1,2-thiazole?
The canonical SMILES for 5-(dichloromethyl)-1,2-thiazole is ClC(Cl)c1ccns1.
What is the InChIKey of 5-(dichloromethyl)-1,2-thiazole?
The InChIKey is OQWDOHOCUXYANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Cl2NS/c5-4(6)3-1-2-7-8-3/h1-2,4H.
What are the key properties of 5-(dichloromethyl)-1,2-thiazole?
5-(dichloromethyl)-1,2-thiazole has a molecular weight of 168.05 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dichloromethyl)-1,2-thiazole is sourced from PubChem (CID 174910086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).