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

C4H3Cl2NS — CID 174910084

IUPAC3-chloro-5-(chloromethyl)-1,2-thiazole
SMILESClCc1cc(Cl)ns1
InChIInChI=1S/C4H3Cl2NS/c5-2-3-1-4(6)7-8-3/h1H,2H2
InChIKeyHUIGKCZLCJXYJM-UHFFFAOYSA-N
MW168.05 g/mol
LogP2.54
Rot. Bonds1

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

3-chloro-5-(chloromethyl)-1,2-thiazole (PubChem CID 174910084) has the molecular formula C4H3Cl2NS and a molecular weight of 168.05 g/mol. Its IUPAC name is 3-chloro-5-(chloromethyl)-1,2-thiazole.

Molecular Properties

Compound Name3-chloro-5-(chloromethyl)-1,2-thiazole
PubChem CID174910084
Molecular FormulaC4H3Cl2NS
Molecular Weight168.05 g/mol
Exact Mass166.94
IUPAC Name3-chloro-5-(chloromethyl)-1,2-thiazole
SMILESClCc1cc(Cl)ns1
InChIInChI=1S/C4H3Cl2NS/c5-2-3-1-4(6)7-8-3/h1H,2H2
InChIKeyHUIGKCZLCJXYJM-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
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 3-chloro-5-(chloromethyl)-1,2-thiazole?
The IUPAC name of 3-chloro-5-(chloromethyl)-1,2-thiazole (CID 174910084) is 3-chloro-5-(chloromethyl)-1,2-thiazole.
What is the SMILES notation for 3-chloro-5-(chloromethyl)-1,2-thiazole?
The canonical SMILES for 3-chloro-5-(chloromethyl)-1,2-thiazole is ClCc1cc(Cl)ns1.
What is the InChIKey of 3-chloro-5-(chloromethyl)-1,2-thiazole?
The InChIKey is HUIGKCZLCJXYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Cl2NS/c5-2-3-1-4(6)7-8-3/h1H,2H2.
What are the key properties of 3-chloro-5-(chloromethyl)-1,2-thiazole?
3-chloro-5-(chloromethyl)-1,2-thiazole has a molecular weight of 168.05 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(chloromethyl)-1,2-thiazole is sourced from PubChem (CID 174910084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).