5-(propoxymethyl)-1,3-thiazole

C7H11NOS — CID 178117265

IUPAC5-(propoxymethyl)-1,3-thiazole
SMILESCCCOCc1cncs1
InChIInChI=1S/C7H11NOS/c1-2-3-9-5-7-4-8-6-10-7/h4,6H,2-3,5H2,1H3
InChIKeyGAHJHBBQZACVTI-UHFFFAOYSA-N
MW157.24 g/mol
LogP2.07
Rot. Bonds4

About 5-(propoxymethyl)-1,3-thiazole

5-(propoxymethyl)-1,3-thiazole (PubChem CID 178117265) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 5-(propoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(propoxymethyl)-1,3-thiazole
PubChem CID178117265
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name5-(propoxymethyl)-1,3-thiazole
SMILESCCCOCc1cncs1
InChIInChI=1S/C7H11NOS/c1-2-3-9-5-7-4-8-6-10-7/h4,6H,2-3,5H2,1H3
InChIKeyGAHJHBBQZACVTI-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
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 5-(propoxymethyl)-1,3-thiazole?
The IUPAC name of 5-(propoxymethyl)-1,3-thiazole (CID 178117265) is 5-(propoxymethyl)-1,3-thiazole.
What is the SMILES notation for 5-(propoxymethyl)-1,3-thiazole?
The canonical SMILES for 5-(propoxymethyl)-1,3-thiazole is CCCOCc1cncs1.
What is the InChIKey of 5-(propoxymethyl)-1,3-thiazole?
The InChIKey is GAHJHBBQZACVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-2-3-9-5-7-4-8-6-10-7/h4,6H,2-3,5H2,1H3.
What are the key properties of 5-(propoxymethyl)-1,3-thiazole?
5-(propoxymethyl)-1,3-thiazole has a molecular weight of 157.24 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propoxymethyl)-1,3-thiazole is sourced from PubChem (CID 178117265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).