5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazole

C9H15NOS — CID 150077774

IUPAC5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazole
SMILESCC(OC(C)(C)C)c1cncs1
InChIInChI=1S/C9H15NOS/c1-7(11-9(2,3)4)8-5-10-6-12-8/h5-7H,1-4H3
InChIKeyDQPYEUNPEJXUED-UHFFFAOYSA-N
MW185.29 g/mol
LogP3.02
Rot. Bonds2

About 5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazole

5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazole (PubChem CID 150077774) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazole
PubChem CID150077774
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazole
SMILESCC(OC(C)(C)C)c1cncs1
InChIInChI=1S/C9H15NOS/c1-7(11-9(2,3)4)8-5-10-6-12-8/h5-7H,1-4H3
InChIKeyDQPYEUNPEJXUED-UHFFFAOYSA-N
XLogP3.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazole?
The IUPAC name of 5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazole (CID 150077774) is 5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazole.
What is the SMILES notation for 5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazole?
The canonical SMILES for 5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazole is CC(OC(C)(C)C)c1cncs1.
What is the InChIKey of 5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazole?
The InChIKey is DQPYEUNPEJXUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-7(11-9(2,3)4)8-5-10-6-12-8/h5-7H,1-4H3.
What are the key properties of 5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazole?
5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazole has a molecular weight of 185.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-thiazole is sourced from PubChem (CID 150077774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).