4-(chloromethyl)-2-(methoxymethyl)-1,3-thiazole

C6H8ClNOS — CID 15290890

IUPAC4-(chloromethyl)-2-(methoxymethyl)-1,3-thiazole
SMILESCOCc1nc(CCl)cs1
InChIInChI=1S/C6H8ClNOS/c1-9-3-6-8-5(2-7)4-10-6/h4H,2-3H2,1H3
InChIKeyLVUAQOMXCHGZDW-UHFFFAOYSA-N
MW177.66 g/mol
LogP2.03
Rot. Bonds3

About 4-(chloromethyl)-2-(methoxymethyl)-1,3-thiazole

4-(chloromethyl)-2-(methoxymethyl)-1,3-thiazole (PubChem CID 15290890) has the molecular formula C6H8ClNOS and a molecular weight of 177.66 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(methoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(methoxymethyl)-1,3-thiazole
PubChem CID15290890
Molecular FormulaC6H8ClNOS
Molecular Weight177.66 g/mol
Exact Mass177.00
IUPAC Name4-(chloromethyl)-2-(methoxymethyl)-1,3-thiazole
SMILESCOCc1nc(CCl)cs1
InChIInChI=1S/C6H8ClNOS/c1-9-3-6-8-5(2-7)4-10-6/h4H,2-3H2,1H3
InChIKeyLVUAQOMXCHGZDW-UHFFFAOYSA-N
XLogP2.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.66
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(methoxymethyl)-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-(methoxymethyl)-1,3-thiazole (CID 15290890) is 4-(chloromethyl)-2-(methoxymethyl)-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-(methoxymethyl)-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-(methoxymethyl)-1,3-thiazole is COCc1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-2-(methoxymethyl)-1,3-thiazole?
The InChIKey is LVUAQOMXCHGZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNOS/c1-9-3-6-8-5(2-7)4-10-6/h4H,2-3H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(methoxymethyl)-1,3-thiazole?
4-(chloromethyl)-2-(methoxymethyl)-1,3-thiazole has a molecular weight of 177.66 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(methoxymethyl)-1,3-thiazole is sourced from PubChem (CID 15290890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).