5-[(6-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole

C9H7ClN2OS — CID 112645504

IUPAC5-[(6-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole
SMILESClc1ccc(OCc2cncs2)cn1
InChIInChI=1S/C9H7ClN2OS/c10-9-2-1-7(3-12-9)13-5-8-4-11-6-14-8/h1-4,6H,5H2
InChIKeyAGPAYOVTQRONBB-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.77
Rot. Bonds3

About 5-[(6-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole

5-[(6-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole (PubChem CID 112645504) has the molecular formula C9H7ClN2OS and a molecular weight of 226.69 g/mol. Its IUPAC name is 5-[(6-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(6-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole
PubChem CID112645504
Molecular FormulaC9H7ClN2OS
Molecular Weight226.69 g/mol
Exact Mass226.00
IUPAC Name5-[(6-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole
SMILESClc1ccc(OCc2cncs2)cn1
InChIInChI=1S/C9H7ClN2OS/c10-9-2-1-7(3-12-9)13-5-8-4-11-6-14-8/h1-4,6H,5H2
InChIKeyAGPAYOVTQRONBB-UHFFFAOYSA-N
XLogP2.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile
CID 102724111
(E)-3-[5-(1,3-thiazol-5-ylmethoxy)-2-pyridinyl]prop-2-enoic acid
CID 112641188
5-[(2-chlorophenoxy)methyl]-1,3-thiazole
CID 112644769
2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide
CID 102724377
5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole
CID 112640679
2-methyl-4-(1,3-thiazol-5-ylmethoxy)aniline
CID 112640166
(6-chloro-3-pyridinyl)oxymethyl-trimethylsilane
CID 130680161
2-bromo-5-(1,3-thiazol-5-ylmethoxy)benzaldehyde
CID 112640713
[2-fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-dimethylborane
CID 58430075
3,5-dichloro-4-(1,3-thiazol-5-ylmethoxy)aniline
CID 112640173
5-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-1,3-thiazole
CID 112641160
2-[(6-chloro-3-pyridinyl)oxy]ethanol
CID 22036297

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole?
The IUPAC name of 5-[(6-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole (CID 112645504) is 5-[(6-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole.
What is the SMILES notation for 5-[(6-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole?
The canonical SMILES for 5-[(6-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole is Clc1ccc(OCc2cncs2)cn1.
What is the InChIKey of 5-[(6-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole?
The InChIKey is AGPAYOVTQRONBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2OS/c10-9-2-1-7(3-12-9)13-5-8-4-11-6-14-8/h1-4,6H,5H2.
What are the key properties of 5-[(6-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole?
5-[(6-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole has a molecular weight of 226.69 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole is sourced from PubChem (CID 112645504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).