2-butoxy-1,3-thiazole

C7H11NOS — CID 22406947

IUPAC2-butoxy-1,3-thiazole
SMILESCCCCOc1nccs1
InChIInChI=1S/C7H11NOS/c1-2-3-5-9-7-8-4-6-10-7/h4,6H,2-3,5H2,1H3
InChIKeyUFWKRKBQAZNTRO-UHFFFAOYSA-N
MW157.24 g/mol
LogP2.32
Rot. Bonds4

About 2-butoxy-1,3-thiazole

2-butoxy-1,3-thiazole (PubChem CID 22406947) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-butoxy-1,3-thiazole.

Molecular Properties

Compound Name2-butoxy-1,3-thiazole
PubChem CID22406947
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name2-butoxy-1,3-thiazole
SMILESCCCCOc1nccs1
InChIInChI=1S/C7H11NOS/c1-2-3-5-9-7-8-4-6-10-7/h4,6H,2-3,5H2,1H3
InChIKeyUFWKRKBQAZNTRO-UHFFFAOYSA-N
XLogP2.32
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1,3-thiazole?
The IUPAC name of 2-butoxy-1,3-thiazole (CID 22406947) is 2-butoxy-1,3-thiazole.
What is the SMILES notation for 2-butoxy-1,3-thiazole?
The canonical SMILES for 2-butoxy-1,3-thiazole is CCCCOc1nccs1.
What is the InChIKey of 2-butoxy-1,3-thiazole?
The InChIKey is UFWKRKBQAZNTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-2-3-5-9-7-8-4-6-10-7/h4,6H,2-3,5H2,1H3.
What are the key properties of 2-butoxy-1,3-thiazole?
2-butoxy-1,3-thiazole has a molecular weight of 157.24 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1,3-thiazole is sourced from PubChem (CID 22406947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).