2-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride

C6H9Cl2NS — CID 67878325

IUPAC2-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride
SMILESCc1csc(CCCl)n1.Cl
InChIInChI=1S/C6H8ClNS.ClH/c1-5-4-9-6(8-5)2-3-7;/h4H,2-3H2,1H3;1H
InChIKeyNICUAYXPSJSKCC-UHFFFAOYSA-N
MW198.12 g/mol
LogP2.65
Rot. Bonds2

About 2-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride

2-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride (PubChem CID 67878325) has the molecular formula C6H9Cl2NS and a molecular weight of 198.12 g/mol. Its IUPAC name is 2-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride
PubChem CID67878325
Molecular FormulaC6H9Cl2NS
Molecular Weight198.12 g/mol
Exact Mass196.98
IUPAC Name2-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride
SMILESCc1csc(CCCl)n1.Cl
InChIInChI=1S/C6H8ClNS.ClH/c1-5-4-9-6(8-5)2-3-7;/h4H,2-3H2,1H3;1H
InChIKeyNICUAYXPSJSKCC-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
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-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride?
The IUPAC name of 2-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride (CID 67878325) is 2-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride is Cc1csc(CCCl)n1.Cl.
What is the InChIKey of 2-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride?
The InChIKey is NICUAYXPSJSKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNS.ClH/c1-5-4-9-6(8-5)2-3-7;/h4H,2-3H2,1H3;1H.
What are the key properties of 2-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride?
2-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride has a molecular weight of 198.12 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-4-methyl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 67878325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).