3-[(2,6-dichloro-3-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one

C11H10Cl2N2OS — CID 106994174

IUPAC3-[(2,6-dichloro-3-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(Cc2ccc(Cl)nc2Cl)c1C
InChIInChI=1S/C11H10Cl2N2OS/c1-6-7(2)17-11(16)15(6)5-8-3-4-9(12)14-10(8)13/h3-4H,5H2,1-2H3
InChIKeyZTJMEGAEIXFLFF-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.28
Rot. Bonds2

About 3-[(2,6-dichloro-3-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one

3-[(2,6-dichloro-3-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 106994174) has the molecular formula C11H10Cl2N2OS and a molecular weight of 289.19 g/mol. Its IUPAC name is 3-[(2,6-dichloro-3-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(2,6-dichloro-3-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID106994174
Molecular FormulaC11H10Cl2N2OS
Molecular Weight289.19 g/mol
Exact Mass287.99
IUPAC Name3-[(2,6-dichloro-3-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(Cc2ccc(Cl)nc2Cl)c1C
InChIInChI=1S/C11H10Cl2N2OS/c1-6-7(2)17-11(16)15(6)5-8-3-4-9(12)14-10(8)13/h3-4H,5H2,1-2H3
InChIKeyZTJMEGAEIXFLFF-UHFFFAOYSA-N
XLogP3.28
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.28
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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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichloro-3-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[(2,6-dichloro-3-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 106994174) is 3-[(2,6-dichloro-3-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(2,6-dichloro-3-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[(2,6-dichloro-3-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(Cc2ccc(Cl)nc2Cl)c1C.
What is the InChIKey of 3-[(2,6-dichloro-3-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is ZTJMEGAEIXFLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2OS/c1-6-7(2)17-11(16)15(6)5-8-3-4-9(12)14-10(8)13/h3-4H,5H2,1-2H3.
What are the key properties of 3-[(2,6-dichloro-3-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[(2,6-dichloro-3-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 289.19 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichloro-3-pyridinyl)methyl]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 106994174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).