5-[methoxy(phenyl)methyl]-4-methyl-1,3-thiazole

C12H13NOS — CID 22101837

IUPAC5-[methoxy(phenyl)methyl]-4-methyl-1,3-thiazole
SMILESCOC(c1ccccc1)c1scnc1C
InChIInChI=1S/C12H13NOS/c1-9-12(15-8-13-9)11(14-2)10-6-4-3-5-7-10/h3-8,11H,1-2H3
InChIKeyYCUVBXMAWBEKQK-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.19
Rot. Bonds3

About 5-[methoxy(phenyl)methyl]-4-methyl-1,3-thiazole

5-[methoxy(phenyl)methyl]-4-methyl-1,3-thiazole (PubChem CID 22101837) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 5-[methoxy(phenyl)methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[methoxy(phenyl)methyl]-4-methyl-1,3-thiazole
PubChem CID22101837
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name5-[methoxy(phenyl)methyl]-4-methyl-1,3-thiazole
SMILESCOC(c1ccccc1)c1scnc1C
InChIInChI=1S/C12H13NOS/c1-9-12(15-8-13-9)11(14-2)10-6-4-3-5-7-10/h3-8,11H,1-2H3
InChIKeyYCUVBXMAWBEKQK-UHFFFAOYSA-N
XLogP3.19
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[methoxy(phenyl)methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[methoxy(phenyl)methyl]-4-methyl-1,3-thiazole (CID 22101837) is 5-[methoxy(phenyl)methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[methoxy(phenyl)methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[methoxy(phenyl)methyl]-4-methyl-1,3-thiazole is COC(c1ccccc1)c1scnc1C.
What is the InChIKey of 5-[methoxy(phenyl)methyl]-4-methyl-1,3-thiazole?
The InChIKey is YCUVBXMAWBEKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-9-12(15-8-13-9)11(14-2)10-6-4-3-5-7-10/h3-8,11H,1-2H3.
What are the key properties of 5-[methoxy(phenyl)methyl]-4-methyl-1,3-thiazole?
5-[methoxy(phenyl)methyl]-4-methyl-1,3-thiazole has a molecular weight of 219.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methoxy(phenyl)methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 22101837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).