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

C5H6ClNS — CID 20555849

IUPAC2-(chloromethyl)-5-methyl-1,3-thiazole
SMILESCc1cnc(CCl)s1
InChIInChI=1S/C5H6ClNS/c1-4-3-7-5(2-6)8-4/h3H,2H2,1H3
InChIKeyBXCZTQRACVHZIB-UHFFFAOYSA-N
MW147.63 g/mol
LogP2.19
Rot. Bonds1

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

2-(chloromethyl)-5-methyl-1,3-thiazole (PubChem CID 20555849) has the molecular formula C5H6ClNS and a molecular weight of 147.63 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-methyl-1,3-thiazole
PubChem CID20555849
Molecular FormulaC5H6ClNS
Molecular Weight147.63 g/mol
Exact Mass146.99
IUPAC Name2-(chloromethyl)-5-methyl-1,3-thiazole
SMILESCc1cnc(CCl)s1
InChIInChI=1S/C5H6ClNS/c1-4-3-7-5(2-6)8-4/h3H,2H2,1H3
InChIKeyBXCZTQRACVHZIB-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 2-(chloromethyl)-5-methyl-1,3-thiazole?
The IUPAC name of 2-(chloromethyl)-5-methyl-1,3-thiazole (CID 20555849) is 2-(chloromethyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(chloromethyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(chloromethyl)-5-methyl-1,3-thiazole is Cc1cnc(CCl)s1.
What is the InChIKey of 2-(chloromethyl)-5-methyl-1,3-thiazole?
The InChIKey is BXCZTQRACVHZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNS/c1-4-3-7-5(2-6)8-4/h3H,2H2,1H3.
What are the key properties of 2-(chloromethyl)-5-methyl-1,3-thiazole?
2-(chloromethyl)-5-methyl-1,3-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 2-(chloromethyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 20555849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).