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

C12H13NOS — CID 3350660

IUPAC4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(C)sc2C)cc1
InChIInChI=1S/C12H13NOS/c1-8-12(13-9(2)15-8)10-4-6-11(14-3)7-5-10/h4-7H,1-3H3
InChIKeyWMWODDFXVNHJCO-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.44
Rot. Bonds2

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

4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole (PubChem CID 3350660) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole
PubChem CID3350660
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(C)sc2C)cc1
InChIInChI=1S/C12H13NOS/c1-8-12(13-9(2)15-8)10-4-6-11(14-3)7-5-10/h4-7H,1-3H3
InChIKeyWMWODDFXVNHJCO-UHFFFAOYSA-N
XLogP3.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole?
The IUPAC name of 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole (CID 3350660) is 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole?
The canonical SMILES for 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole is COc1ccc(-c2nc(C)sc2C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole?
The InChIKey is WMWODDFXVNHJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-8-12(13-9(2)15-8)10-4-6-11(14-3)7-5-10/h4-7H,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole?
4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole has a molecular weight of 219.31 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 3350660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).