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

C6H8ClNS — CID 62922540

IUPAC2-(chloromethyl)-5-ethyl-1,3-thiazole
SMILESCCc1cnc(CCl)s1
InChIInChI=1S/C6H8ClNS/c1-2-5-4-8-6(3-7)9-5/h4H,2-3H2,1H3
InChIKeyOMNARGNMMFLYFU-UHFFFAOYSA-N
MW161.66 g/mol
LogP2.44
Rot. Bonds2

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

2-(chloromethyl)-5-ethyl-1,3-thiazole (PubChem CID 62922540) has the molecular formula C6H8ClNS and a molecular weight of 161.66 g/mol. Its IUPAC name is 2-(chloromethyl)-5-ethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-ethyl-1,3-thiazole
PubChem CID62922540
Molecular FormulaC6H8ClNS
Molecular Weight161.66 g/mol
Exact Mass161.01
IUPAC Name2-(chloromethyl)-5-ethyl-1,3-thiazole
SMILESCCc1cnc(CCl)s1
InChIInChI=1S/C6H8ClNS/c1-2-5-4-8-6(3-7)9-5/h4H,2-3H2,1H3
InChIKeyOMNARGNMMFLYFU-UHFFFAOYSA-N
XLogP2.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.66
LogP ≤ 52.44
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-ethyl-1,3-thiazole?
The IUPAC name of 2-(chloromethyl)-5-ethyl-1,3-thiazole (CID 62922540) is 2-(chloromethyl)-5-ethyl-1,3-thiazole.
What is the SMILES notation for 2-(chloromethyl)-5-ethyl-1,3-thiazole?
The canonical SMILES for 2-(chloromethyl)-5-ethyl-1,3-thiazole is CCc1cnc(CCl)s1.
What is the InChIKey of 2-(chloromethyl)-5-ethyl-1,3-thiazole?
The InChIKey is OMNARGNMMFLYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNS/c1-2-5-4-8-6(3-7)9-5/h4H,2-3H2,1H3.
What are the key properties of 2-(chloromethyl)-5-ethyl-1,3-thiazole?
2-(chloromethyl)-5-ethyl-1,3-thiazole has a molecular weight of 161.66 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-ethyl-1,3-thiazole is sourced from PubChem (CID 62922540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).