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

C5H6ClNS — CID 14791284

IUPAC5-(chloromethyl)-3-methyl-1,2-thiazole
SMILESCc1cc(CCl)sn1
InChIInChI=1S/C5H6ClNS/c1-4-2-5(3-6)8-7-4/h2H,3H2,1H3
InChIKeyINVJRHVKBIWXQZ-UHFFFAOYSA-N
MW147.63 g/mol
LogP2.19
Rot. Bonds1

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

5-(chloromethyl)-3-methyl-1,2-thiazole (PubChem CID 14791284) has the molecular formula C5H6ClNS and a molecular weight of 147.63 g/mol. Its IUPAC name is 5-(chloromethyl)-3-methyl-1,2-thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-methyl-1,2-thiazole
PubChem CID14791284
Molecular FormulaC5H6ClNS
Molecular Weight147.63 g/mol
Exact Mass146.99
IUPAC Name5-(chloromethyl)-3-methyl-1,2-thiazole
SMILESCc1cc(CCl)sn1
InChIInChI=1S/C5H6ClNS/c1-4-2-5(3-6)8-7-4/h2H,3H2,1H3
InChIKeyINVJRHVKBIWXQZ-UHFFFAOYSA-N
XLogP2.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.63
LogP ≤ 52.19
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?
The IUPAC name of 5-(chloromethyl)-3-methyl-1,2-thiazole (CID 14791284) is 5-(chloromethyl)-3-methyl-1,2-thiazole.
What is the SMILES notation for 5-(chloromethyl)-3-methyl-1,2-thiazole?
The canonical SMILES for 5-(chloromethyl)-3-methyl-1,2-thiazole is Cc1cc(CCl)sn1.
What is the InChIKey of 5-(chloromethyl)-3-methyl-1,2-thiazole?
The InChIKey is INVJRHVKBIWXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNS/c1-4-2-5(3-6)8-7-4/h2H,3H2,1H3.
What are the key properties of 5-(chloromethyl)-3-methyl-1,2-thiazole?
5-(chloromethyl)-3-methyl-1,2-thiazole has a molecular weight of 147.63 g/mol, XLogP of 2.19, 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 is sourced from PubChem (CID 14791284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).