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

C7H11NOS — CID 90352507

IUPAC5-[(2-methylpropan-2-yl)oxy]-1,3-thiazole
SMILESCC(C)(C)Oc1cncs1
InChIInChI=1S/C7H11NOS/c1-7(2,3)9-6-4-8-5-10-6/h4-5H,1-3H3
InChIKeyNEYLKSQXPVWPCJ-UHFFFAOYSA-N
MW157.24 g/mol
LogP2.32
Rot. Bonds1

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

5-[(2-methylpropan-2-yl)oxy]-1,3-thiazole (PubChem CID 90352507) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxy]-1,3-thiazole.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxy]-1,3-thiazole
PubChem CID90352507
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name5-[(2-methylpropan-2-yl)oxy]-1,3-thiazole
SMILESCC(C)(C)Oc1cncs1
InChIInChI=1S/C7H11NOS/c1-7(2,3)9-6-4-8-5-10-6/h4-5H,1-3H3
InChIKeyNEYLKSQXPVWPCJ-UHFFFAOYSA-N
XLogP2.32
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxy]-1,3-thiazole?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxy]-1,3-thiazole (CID 90352507) is 5-[(2-methylpropan-2-yl)oxy]-1,3-thiazole.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxy]-1,3-thiazole?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxy]-1,3-thiazole is CC(C)(C)Oc1cncs1.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxy]-1,3-thiazole?
The InChIKey is NEYLKSQXPVWPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-7(2,3)9-6-4-8-5-10-6/h4-5H,1-3H3.
What are the key properties of 5-[(2-methylpropan-2-yl)oxy]-1,3-thiazole?
5-[(2-methylpropan-2-yl)oxy]-1,3-thiazole has a molecular weight of 157.24 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxy]-1,3-thiazole is sourced from PubChem (CID 90352507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).