2-propan-2-yloxy-1,3-thiazole

C6H9NOS — CID 21334097

IUPAC2-propan-2-yloxy-1,3-thiazole
SMILESCC(C)Oc1nccs1
InChIInChI=1S/C6H9NOS/c1-5(2)8-6-7-3-4-9-6/h3-5H,1-2H3
InChIKeyXLGQNBBTOJCPMG-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.93
Rot. Bonds2

About 2-propan-2-yloxy-1,3-thiazole

2-propan-2-yloxy-1,3-thiazole (PubChem CID 21334097) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is 2-propan-2-yloxy-1,3-thiazole.

Molecular Properties

Compound Name2-propan-2-yloxy-1,3-thiazole
PubChem CID21334097
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name2-propan-2-yloxy-1,3-thiazole
SMILESCC(C)Oc1nccs1
InChIInChI=1S/C6H9NOS/c1-5(2)8-6-7-3-4-9-6/h3-5H,1-2H3
InChIKeyXLGQNBBTOJCPMG-UHFFFAOYSA-N
XLogP1.93
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-1,3-thiazole?
The IUPAC name of 2-propan-2-yloxy-1,3-thiazole (CID 21334097) is 2-propan-2-yloxy-1,3-thiazole.
What is the SMILES notation for 2-propan-2-yloxy-1,3-thiazole?
The canonical SMILES for 2-propan-2-yloxy-1,3-thiazole is CC(C)Oc1nccs1.
What is the InChIKey of 2-propan-2-yloxy-1,3-thiazole?
The InChIKey is XLGQNBBTOJCPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-5(2)8-6-7-3-4-9-6/h3-5H,1-2H3.
What are the key properties of 2-propan-2-yloxy-1,3-thiazole?
2-propan-2-yloxy-1,3-thiazole has a molecular weight of 143.21 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-1,3-thiazole is sourced from PubChem (CID 21334097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).