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

C5H7Cl2NS — CID 2734203

IUPAC4-(chloromethyl)-2-methyl-1,3-thiazole;hydrochloride
SMILESCc1nc(CCl)cs1.Cl
InChIInChI=1S/C5H6ClNS.ClH/c1-4-7-5(2-6)3-8-4;/h3H,2H2,1H3;1H
InChIKeyYGKDISJLDVGNOR-UHFFFAOYSA-N
MW184.09 g/mol
LogP2.61
Rot. Bonds1

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

4-(chloromethyl)-2-methyl-1,3-thiazole;hydrochloride (PubChem CID 2734203) has the molecular formula C5H7Cl2NS and a molecular weight of 184.09 g/mol. Its IUPAC name is 4-(chloromethyl)-2-methyl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-(chloromethyl)-2-methyl-1,3-thiazole;hydrochloride
PubChem CID2734203
Molecular FormulaC5H7Cl2NS
Molecular Weight184.09 g/mol
Exact Mass182.97
IUPAC Name4-(chloromethyl)-2-methyl-1,3-thiazole;hydrochloride
SMILESCc1nc(CCl)cs1.Cl
InChIInChI=1S/C5H6ClNS.ClH/c1-4-7-5(2-6)3-8-4;/h3H,2H2,1H3;1H
InChIKeyYGKDISJLDVGNOR-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 4-(chloromethyl)-2-methyl-1,3-thiazole;hydrochloride?
The IUPAC name of 4-(chloromethyl)-2-methyl-1,3-thiazole;hydrochloride (CID 2734203) is 4-(chloromethyl)-2-methyl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-(chloromethyl)-2-methyl-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-(chloromethyl)-2-methyl-1,3-thiazole;hydrochloride is Cc1nc(CCl)cs1.Cl.
What is the InChIKey of 4-(chloromethyl)-2-methyl-1,3-thiazole;hydrochloride?
The InChIKey is YGKDISJLDVGNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNS.ClH/c1-4-7-5(2-6)3-8-4;/h3H,2H2,1H3;1H.
What are the key properties of 4-(chloromethyl)-2-methyl-1,3-thiazole;hydrochloride?
4-(chloromethyl)-2-methyl-1,3-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 4-(chloromethyl)-2-methyl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 2734203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).