4-(chloromethyl)-N,3-diethyl-1,3-thiazol-2-imine;hydrochloride

C8H14Cl2N2S — CID 23130900

IUPAC4-(chloromethyl)-N,3-diethyl-1,3-thiazol-2-imine;hydrochloride
SMILESCC/N=c1\scc(CCl)n1CC.Cl
InChIInChI=1S/C8H13ClN2S.ClH/c1-3-10-8-11(4-2)7(5-9)6-12-8;/h6H,3-5H2,1-2H3;1H/b10-8-;
InChIKeyPHQYQJCSDLFYQG-DQMXGCRQSA-N
MW241.19 g/mol
LogP2.65
Rot. Bonds3

About 4-(chloromethyl)-N,3-diethyl-1,3-thiazol-2-imine;hydrochloride

4-(chloromethyl)-N,3-diethyl-1,3-thiazol-2-imine;hydrochloride (PubChem CID 23130900) has the molecular formula C8H14Cl2N2S and a molecular weight of 241.19 g/mol. Its IUPAC name is 4-(chloromethyl)-N,3-diethyl-1,3-thiazol-2-imine;hydrochloride.

Molecular Properties

Compound Name4-(chloromethyl)-N,3-diethyl-1,3-thiazol-2-imine;hydrochloride
PubChem CID23130900
Molecular FormulaC8H14Cl2N2S
Molecular Weight241.19 g/mol
Exact Mass240.03
IUPAC Name4-(chloromethyl)-N,3-diethyl-1,3-thiazol-2-imine;hydrochloride
SMILESCC/N=c1\scc(CCl)n1CC.Cl
InChIInChI=1S/C8H13ClN2S.ClH/c1-3-10-8-11(4-2)7(5-9)6-12-8;/h6H,3-5H2,1-2H3;1H/b10-8-;
InChIKeyPHQYQJCSDLFYQG-DQMXGCRQSA-N
XLogP2.65
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N,3-diethyl-1,3-thiazol-2-imine;hydrochloride?
The IUPAC name of 4-(chloromethyl)-N,3-diethyl-1,3-thiazol-2-imine;hydrochloride (CID 23130900) is 4-(chloromethyl)-N,3-diethyl-1,3-thiazol-2-imine;hydrochloride.
What is the SMILES notation for 4-(chloromethyl)-N,3-diethyl-1,3-thiazol-2-imine;hydrochloride?
The canonical SMILES for 4-(chloromethyl)-N,3-diethyl-1,3-thiazol-2-imine;hydrochloride is CC/N=c1\scc(CCl)n1CC.Cl.
What is the InChIKey of 4-(chloromethyl)-N,3-diethyl-1,3-thiazol-2-imine;hydrochloride?
The InChIKey is PHQYQJCSDLFYQG-DQMXGCRQSA-N. The full InChI is InChI=1S/C8H13ClN2S.ClH/c1-3-10-8-11(4-2)7(5-9)6-12-8;/h6H,3-5H2,1-2H3;1H/b10-8-;.
What are the key properties of 4-(chloromethyl)-N,3-diethyl-1,3-thiazol-2-imine;hydrochloride?
4-(chloromethyl)-N,3-diethyl-1,3-thiazol-2-imine;hydrochloride has a molecular weight of 241.19 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N,3-diethyl-1,3-thiazol-2-imine;hydrochloride is sourced from PubChem (CID 23130900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).