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

C13H15NOS — CID 66804693

IUPAC2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole
SMILESCC(C)c1ccc(OCc2nccs2)cc1
InChIInChI=1S/C13H15NOS/c1-10(2)11-3-5-12(6-4-11)15-9-13-14-7-8-16-13/h3-8,10H,9H2,1-2H3
InChIKeyHOMTWVHKXUFKEP-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.85
Rot. Bonds4

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

2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole (PubChem CID 66804693) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole
PubChem CID66804693
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole
SMILESCC(C)c1ccc(OCc2nccs2)cc1
InChIInChI=1S/C13H15NOS/c1-10(2)11-3-5-12(6-4-11)15-9-13-14-7-8-16-13/h3-8,10H,9H2,1-2H3
InChIKeyHOMTWVHKXUFKEP-UHFFFAOYSA-N
XLogP3.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole (CID 66804693) is 2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole is CC(C)c1ccc(OCc2nccs2)cc1.
What is the InChIKey of 2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole?
The InChIKey is HOMTWVHKXUFKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-10(2)11-3-5-12(6-4-11)15-9-13-14-7-8-16-13/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole?
2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole has a molecular weight of 233.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 66804693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).