4-(chloromethyl)-2-ethyl-1,3-thiazole;hydrochloride

C6H9Cl2NS — CID 18759030

IUPAC4-(chloromethyl)-2-ethyl-1,3-thiazole;hydrochloride
SMILESCCc1nc(CCl)cs1.Cl
InChIInChI=1S/C6H8ClNS.ClH/c1-2-6-8-5(3-7)4-9-6;/h4H,2-3H2,1H3;1H
InChIKeyWPBGKHTVZNGJJV-UHFFFAOYSA-N
MW198.12 g/mol
LogP2.87
Rot. Bonds2

About 4-(chloromethyl)-2-ethyl-1,3-thiazole;hydrochloride

4-(chloromethyl)-2-ethyl-1,3-thiazole;hydrochloride (PubChem CID 18759030) has the molecular formula C6H9Cl2NS and a molecular weight of 198.12 g/mol. Its IUPAC name is 4-(chloromethyl)-2-ethyl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-(chloromethyl)-2-ethyl-1,3-thiazole;hydrochloride
PubChem CID18759030
Molecular FormulaC6H9Cl2NS
Molecular Weight198.12 g/mol
Exact Mass196.98
IUPAC Name4-(chloromethyl)-2-ethyl-1,3-thiazole;hydrochloride
SMILESCCc1nc(CCl)cs1.Cl
InChIInChI=1S/C6H8ClNS.ClH/c1-2-6-8-5(3-7)4-9-6;/h4H,2-3H2,1H3;1H
InChIKeyWPBGKHTVZNGJJV-UHFFFAOYSA-N
XLogP2.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.12
LogP ≤ 52.87
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 4-(chloromethyl)-2-ethyl-1,3-thiazole;hydrochloride?
The IUPAC name of 4-(chloromethyl)-2-ethyl-1,3-thiazole;hydrochloride (CID 18759030) is 4-(chloromethyl)-2-ethyl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-(chloromethyl)-2-ethyl-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-(chloromethyl)-2-ethyl-1,3-thiazole;hydrochloride is CCc1nc(CCl)cs1.Cl.
What is the InChIKey of 4-(chloromethyl)-2-ethyl-1,3-thiazole;hydrochloride?
The InChIKey is WPBGKHTVZNGJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNS.ClH/c1-2-6-8-5(3-7)4-9-6;/h4H,2-3H2,1H3;1H.
What are the key properties of 4-(chloromethyl)-2-ethyl-1,3-thiazole;hydrochloride?
4-(chloromethyl)-2-ethyl-1,3-thiazole;hydrochloride has a molecular weight of 198.12 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-ethyl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 18759030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).