5-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-1,3-thiazole

C11H11ClN2OS — CID 112641160

IUPAC5-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-1,3-thiazole
SMILESCc1ccc(OCc2cncs2)c(CCl)n1
InChIInChI=1S/C11H11ClN2OS/c1-8-2-3-11(10(4-12)14-8)15-6-9-5-13-7-16-9/h2-3,5,7H,4,6H2,1H3
InChIKeyXPGZJZSFZSTQNH-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.16
Rot. Bonds4

About 5-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-1,3-thiazole

5-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-1,3-thiazole (PubChem CID 112641160) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 5-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-1,3-thiazole
PubChem CID112641160
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name5-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-1,3-thiazole
SMILESCc1ccc(OCc2cncs2)c(CCl)n1
InChIInChI=1S/C11H11ClN2OS/c1-8-2-3-11(10(4-12)14-8)15-6-9-5-13-7-16-9/h2-3,5,7H,4,6H2,1H3
InChIKeyXPGZJZSFZSTQNH-UHFFFAOYSA-N
XLogP3.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-3-[(2,6-dichlorophenyl)methoxy]-6-methylpyridine
CID 79169539
2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine
CID 105404335
2-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-4-methoxy-3,5-dimethylpyridine
CID 79163845
5-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole
CID 112641156
5-[(2-chlorophenoxy)methyl]-1,3-thiazole
CID 112644769
2-(chloromethyl)-3-(2-cyclopropylethoxy)-6-methylpyridine
CID 79168865
5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3-thiazole
CID 112641170
2-(chloromethyl)-6-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine
CID 79168623
2-(chloromethyl)-6-methyl-3-(2-propoxyethoxy)pyridine
CID 106454021
2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine
CID 79168619
2-(chloromethyl)-3-(3-ethoxypropoxy)-6-methylpyridine
CID 79169037
4-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]quinoline
CID 79231453

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-1,3-thiazole?
The IUPAC name of 5-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-1,3-thiazole (CID 112641160) is 5-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-1,3-thiazole.
What is the SMILES notation for 5-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-1,3-thiazole?
The canonical SMILES for 5-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-1,3-thiazole is Cc1ccc(OCc2cncs2)c(CCl)n1.
What is the InChIKey of 5-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-1,3-thiazole?
The InChIKey is XPGZJZSFZSTQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-8-2-3-11(10(4-12)14-8)15-6-9-5-13-7-16-9/h2-3,5,7H,4,6H2,1H3.
What are the key properties of 5-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-1,3-thiazole?
5-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-1,3-thiazole has a molecular weight of 254.74 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-1,3-thiazole is sourced from PubChem (CID 112641160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).