2,5-dimethyl-4-(phenoxymethyl)-1,3-thiazole

C12H13NOS — CID 173249504

IUPAC2,5-dimethyl-4-(phenoxymethyl)-1,3-thiazole
SMILESCc1nc(COc2ccccc2)c(C)s1
InChIInChI=1S/C12H13NOS/c1-9-12(13-10(2)15-9)8-14-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyRXOFEXYPVRTSIA-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.34
Rot. Bonds3

About 2,5-dimethyl-4-(phenoxymethyl)-1,3-thiazole

2,5-dimethyl-4-(phenoxymethyl)-1,3-thiazole (PubChem CID 173249504) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 2,5-dimethyl-4-(phenoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2,5-dimethyl-4-(phenoxymethyl)-1,3-thiazole
PubChem CID173249504
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name2,5-dimethyl-4-(phenoxymethyl)-1,3-thiazole
SMILESCc1nc(COc2ccccc2)c(C)s1
InChIInChI=1S/C12H13NOS/c1-9-12(13-10(2)15-9)8-14-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyRXOFEXYPVRTSIA-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 2,5-dimethyl-4-(phenoxymethyl)-1,3-thiazole?
The IUPAC name of 2,5-dimethyl-4-(phenoxymethyl)-1,3-thiazole (CID 173249504) is 2,5-dimethyl-4-(phenoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2,5-dimethyl-4-(phenoxymethyl)-1,3-thiazole?
The canonical SMILES for 2,5-dimethyl-4-(phenoxymethyl)-1,3-thiazole is Cc1nc(COc2ccccc2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-4-(phenoxymethyl)-1,3-thiazole?
The InChIKey is RXOFEXYPVRTSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-9-12(13-10(2)15-9)8-14-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-(phenoxymethyl)-1,3-thiazole?
2,5-dimethyl-4-(phenoxymethyl)-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 2,5-dimethyl-4-(phenoxymethyl)-1,3-thiazole is sourced from PubChem (CID 173249504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).