5-[2-[(6-chloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole

C12H13ClN2OS — CID 79240432

IUPAC5-[2-[(6-chloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCOCc1cccc(Cl)n1
InChIInChI=1S/C12H13ClN2OS/c1-9-11(17-8-14-9)5-6-16-7-10-3-2-4-12(13)15-10/h2-4,8H,5-7H2,1H3
InChIKeyVEUAZJHJFUMFQR-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.26
Rot. Bonds5

About 5-[2-[(6-chloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole

5-[2-[(6-chloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole (PubChem CID 79240432) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 5-[2-[(6-chloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[(6-chloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole
PubChem CID79240432
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name5-[2-[(6-chloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCOCc1cccc(Cl)n1
InChIInChI=1S/C12H13ClN2OS/c1-9-11(17-8-14-9)5-6-16-7-10-3-2-4-12(13)15-10/h2-4,8H,5-7H2,1H3
InChIKeyVEUAZJHJFUMFQR-UHFFFAOYSA-N
XLogP3.26
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[(6-chloropyridazin-3-yl)methoxy]ethyl]-4-methyl-1,3-thiazole
CID 104514129
N-[[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907682
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
5-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]ethyl]-4-methyl-1,3-thiazole
CID 60796740
4-methyl-5-[2-(2-phenylsulfanylethoxy)ethyl]-1,3-thiazole
CID 79403461
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanenitrile
CID 24697504
3-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]prop-2-enoic acid
CID 76908882
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
[3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]methanamine
CID 43530969
4-ethoxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]aniline
CID 43260074
N-ethyl-2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]phenyl]ethanamine
CID 105349386
1-(4-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanone
CID 62029259

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(6-chloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[2-[(6-chloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole (CID 79240432) is 5-[2-[(6-chloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[2-[(6-chloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[2-[(6-chloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole is Cc1ncsc1CCOCc1cccc(Cl)n1.
What is the InChIKey of 5-[2-[(6-chloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole?
The InChIKey is VEUAZJHJFUMFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c1-9-11(17-8-14-9)5-6-16-7-10-3-2-4-12(13)15-10/h2-4,8H,5-7H2,1H3.
What are the key properties of 5-[2-[(6-chloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole?
5-[2-[(6-chloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole has a molecular weight of 268.77 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(6-chloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 79240432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).