3-[(6-methoxy-2-pyridinyl)methyl]-1,3-thiazol-2-one

C10H10N2O2S — CID 115659308

IUPAC3-[(6-methoxy-2-pyridinyl)methyl]-1,3-thiazol-2-one
SMILESCOc1cccc(Cn2ccsc2=O)n1
InChIInChI=1S/C10H10N2O2S/c1-14-9-4-2-3-8(11-9)7-12-5-6-15-10(12)13/h2-6H,7H2,1H3
InChIKeyRAICHKWROJPMKI-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.36
Rot. Bonds3

About 3-[(6-methoxy-2-pyridinyl)methyl]-1,3-thiazol-2-one

3-[(6-methoxy-2-pyridinyl)methyl]-1,3-thiazol-2-one (PubChem CID 115659308) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-[(6-methoxy-2-pyridinyl)methyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(6-methoxy-2-pyridinyl)methyl]-1,3-thiazol-2-one
PubChem CID115659308
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name3-[(6-methoxy-2-pyridinyl)methyl]-1,3-thiazol-2-one
SMILESCOc1cccc(Cn2ccsc2=O)n1
InChIInChI=1S/C10H10N2O2S/c1-14-9-4-2-3-8(11-9)7-12-5-6-15-10(12)13/h2-6H,7H2,1H3
InChIKeyRAICHKWROJPMKI-UHFFFAOYSA-N
XLogP1.36
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-ethyl-1-[(6-methoxy-2-pyridinyl)methyl]indole
CID 116618872
1-[(6-methoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82902409
1-[(6-methoxy-2-pyridinyl)methyl]pyrrole-2-carbonitrile
CID 114652954
5-iodo-3-[(6-methoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one
CID 66342432
5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole
CID 116619644
2-methoxy-6-(piperidin-1-ylmethyl)pyridine
CID 70652671
4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 172891269
1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]ethanone
CID 79107045
5-iodo-2-[(6-methoxy-2-pyridinyl)methyl]pyridazin-3-one
CID 114553619
5-iodo-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylpyrimidin-4-one
CID 66342481
4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 172891261
N-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 63984535

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-2-pyridinyl)methyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[(6-methoxy-2-pyridinyl)methyl]-1,3-thiazol-2-one (CID 115659308) is 3-[(6-methoxy-2-pyridinyl)methyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(6-methoxy-2-pyridinyl)methyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[(6-methoxy-2-pyridinyl)methyl]-1,3-thiazol-2-one is COc1cccc(Cn2ccsc2=O)n1.
What is the InChIKey of 3-[(6-methoxy-2-pyridinyl)methyl]-1,3-thiazol-2-one?
The InChIKey is RAICHKWROJPMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-14-9-4-2-3-8(11-9)7-12-5-6-15-10(12)13/h2-6H,7H2,1H3.
What are the key properties of 3-[(6-methoxy-2-pyridinyl)methyl]-1,3-thiazol-2-one?
3-[(6-methoxy-2-pyridinyl)methyl]-1,3-thiazol-2-one has a molecular weight of 222.27 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-2-pyridinyl)methyl]-1,3-thiazol-2-one is sourced from PubChem (CID 115659308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).