2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole

C12H13NOS — CID 60645457

IUPAC2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole
SMILESCc1nc(COc2ccccc2C)cs1
InChIInChI=1S/C12H13NOS/c1-9-5-3-4-6-12(9)14-7-11-8-15-10(2)13-11/h3-6,8H,7H2,1-2H3
InChIKeyIRWUVAPUYZKLQE-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.34
Rot. Bonds3

About 2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole

2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole (PubChem CID 60645457) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole
PubChem CID60645457
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole
SMILESCc1nc(COc2ccccc2C)cs1
InChIInChI=1S/C12H13NOS/c1-9-5-3-4-6-12(9)14-7-11-8-15-10(2)13-11/h3-6,8H,7H2,1-2H3
InChIKeyIRWUVAPUYZKLQE-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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Related Compounds

2-methyl-4-[(2-phenoxyphenoxy)methyl]-1,3-thiazole
CID 23042161
2-ethyl-4-[4-[(2-methylphenoxy)methyl]-1,3-thiazol-2-yl]-1,3-thiazole
CID 69026342
4-(1H-indol-4-yloxymethyl)-2-methyl-1,3-thiazole
CID 141124782
4-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 108760280
2-fluoro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 104651304
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-prop-2-ynylbenzamide
CID 24641781
N-cyclopropyl-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718307
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8732248
4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide
CID 107657059
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8732115
[2-(2-chlorophenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8731957
6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carbaldehyde
CID 79035489

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole (CID 60645457) is 2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole is Cc1nc(COc2ccccc2C)cs1.
What is the InChIKey of 2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole?
The InChIKey is IRWUVAPUYZKLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-9-5-3-4-6-12(9)14-7-11-8-15-10(2)13-11/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole?
2-methyl-4-[(2-methylphenoxy)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-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 60645457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).