5-(chloromethyl)-3-methyl-1,2-thiazole;hydrochloride

C5H7Cl2NS — CID 134690923

IUPAC5-(chloromethyl)-3-methyl-1,2-thiazole;hydrochloride
SMILESCc1cc(CCl)sn1.Cl
InChIInChI=1S/C5H6ClNS.ClH/c1-4-2-5(3-6)8-7-4;/h2H,3H2,1H3;1H
InChIKeyXGMVZXMZZUNVNK-UHFFFAOYSA-N
MW184.09 g/mol
LogP2.61
Rot. Bonds1

About 5-(chloromethyl)-3-methyl-1,2-thiazole;hydrochloride

5-(chloromethyl)-3-methyl-1,2-thiazole;hydrochloride (PubChem CID 134690923) has the molecular formula C5H7Cl2NS and a molecular weight of 184.09 g/mol. Its IUPAC name is 5-(chloromethyl)-3-methyl-1,2-thiazole;hydrochloride.

Molecular Properties

Compound Name5-(chloromethyl)-3-methyl-1,2-thiazole;hydrochloride
PubChem CID134690923
Molecular FormulaC5H7Cl2NS
Molecular Weight184.09 g/mol
Exact Mass182.97
IUPAC Name5-(chloromethyl)-3-methyl-1,2-thiazole;hydrochloride
SMILESCc1cc(CCl)sn1.Cl
InChIInChI=1S/C5H6ClNS.ClH/c1-4-2-5(3-6)8-7-4;/h2H,3H2,1H3;1H
InChIKeyXGMVZXMZZUNVNK-UHFFFAOYSA-N
XLogP2.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.09
LogP ≤ 52.61
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 5-(chloromethyl)-3-methyl-1,2-thiazole;hydrochloride?
The IUPAC name of 5-(chloromethyl)-3-methyl-1,2-thiazole;hydrochloride (CID 134690923) is 5-(chloromethyl)-3-methyl-1,2-thiazole;hydrochloride.
What is the SMILES notation for 5-(chloromethyl)-3-methyl-1,2-thiazole;hydrochloride?
The canonical SMILES for 5-(chloromethyl)-3-methyl-1,2-thiazole;hydrochloride is Cc1cc(CCl)sn1.Cl.
What is the InChIKey of 5-(chloromethyl)-3-methyl-1,2-thiazole;hydrochloride?
The InChIKey is XGMVZXMZZUNVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNS.ClH/c1-4-2-5(3-6)8-7-4;/h2H,3H2,1H3;1H.
What are the key properties of 5-(chloromethyl)-3-methyl-1,2-thiazole;hydrochloride?
5-(chloromethyl)-3-methyl-1,2-thiazole;hydrochloride has a molecular weight of 184.09 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-methyl-1,2-thiazole;hydrochloride is sourced from PubChem (CID 134690923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).