2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole

C12H13NOS — CID 103825960

IUPAC2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole
SMILESCc1cccc(OCc2nccs2)c1C
InChIInChI=1S/C12H13NOS/c1-9-4-3-5-11(10(9)2)14-8-12-13-6-7-15-12/h3-7H,8H2,1-2H3
InChIKeySRZYNONXVSROFX-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.34
Rot. Bonds3

About 2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole

2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole (PubChem CID 103825960) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole
PubChem CID103825960
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole
SMILESCc1cccc(OCc2nccs2)c1C
InChIInChI=1S/C12H13NOS/c1-9-4-3-5-11(10(9)2)14-8-12-13-6-7-15-12/h3-7H,8H2,1-2H3
InChIKeySRZYNONXVSROFX-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole (CID 103825960) is 2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole is Cc1cccc(OCc2nccs2)c1C.
What is the InChIKey of 2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole?
The InChIKey is SRZYNONXVSROFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-9-4-3-5-11(10(9)2)14-8-12-13-6-7-15-12/h3-7H,8H2,1-2H3.
What are the key properties of 2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole?
2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole has a molecular weight of 219.31 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 103825960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).