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

C12H12Cl2N2OS — CID 55127836

IUPAC5-[2-[(3,6-dichloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCOCc1nc(Cl)ccc1Cl
InChIInChI=1S/C12H12Cl2N2OS/c1-8-11(18-7-15-8)4-5-17-6-10-9(13)2-3-12(14)16-10/h2-3,7H,4-6H2,1H3
InChIKeyKCJPQEVXSUBVMT-UHFFFAOYSA-N
MW303.21 g/mol
LogP3.91
Rot. Bonds5

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

5-[2-[(3,6-dichloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole (PubChem CID 55127836) has the molecular formula C12H12Cl2N2OS and a molecular weight of 303.21 g/mol. Its IUPAC name is 5-[2-[(3,6-dichloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[(3,6-dichloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole
PubChem CID55127836
Molecular FormulaC12H12Cl2N2OS
Molecular Weight303.21 g/mol
Exact Mass302.00
IUPAC Name5-[2-[(3,6-dichloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCOCc1nc(Cl)ccc1Cl
InChIInChI=1S/C12H12Cl2N2OS/c1-8-11(18-7-15-8)4-5-17-6-10-9(13)2-3-12(14)16-10/h2-3,7H,4-6H2,1H3
InChIKeyKCJPQEVXSUBVMT-UHFFFAOYSA-N
XLogP3.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 53.91
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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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3,6-dichloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[2-[(3,6-dichloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole (CID 55127836) is 5-[2-[(3,6-dichloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[2-[(3,6-dichloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[2-[(3,6-dichloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole is Cc1ncsc1CCOCc1nc(Cl)ccc1Cl.
What is the InChIKey of 5-[2-[(3,6-dichloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole?
The InChIKey is KCJPQEVXSUBVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2OS/c1-8-11(18-7-15-8)4-5-17-6-10-9(13)2-3-12(14)16-10/h2-3,7H,4-6H2,1H3.
What are the key properties of 5-[2-[(3,6-dichloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole?
5-[2-[(3,6-dichloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole has a molecular weight of 303.21 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3,6-dichloro-2-pyridinyl)methoxy]ethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 55127836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).