5-(2-ethoxyethyl)-4-methyl-1,3-thiazole

C8H13NOS — CID 11263762

IUPAC5-(2-ethoxyethyl)-4-methyl-1,3-thiazole
SMILESCCOCCc1scnc1C
InChIInChI=1S/C8H13NOS/c1-3-10-5-4-8-7(2)9-6-11-8/h6H,3-5H2,1-2H3
InChIKeyBUWIEFPZTJPFAZ-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.03
Rot. Bonds4

About 5-(2-ethoxyethyl)-4-methyl-1,3-thiazole

5-(2-ethoxyethyl)-4-methyl-1,3-thiazole (PubChem CID 11263762) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 5-(2-ethoxyethyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(2-ethoxyethyl)-4-methyl-1,3-thiazole
PubChem CID11263762
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name5-(2-ethoxyethyl)-4-methyl-1,3-thiazole
SMILESCCOCCc1scnc1C
InChIInChI=1S/C8H13NOS/c1-3-10-5-4-8-7(2)9-6-11-8/h6H,3-5H2,1-2H3
InChIKeyBUWIEFPZTJPFAZ-UHFFFAOYSA-N
XLogP2.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.03
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-(2-ethoxyethyl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-(2-ethoxyethyl)-4-methyl-1,3-thiazole (CID 11263762) is 5-(2-ethoxyethyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-(2-ethoxyethyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-(2-ethoxyethyl)-4-methyl-1,3-thiazole is CCOCCc1scnc1C.
What is the InChIKey of 5-(2-ethoxyethyl)-4-methyl-1,3-thiazole?
The InChIKey is BUWIEFPZTJPFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-3-10-5-4-8-7(2)9-6-11-8/h6H,3-5H2,1-2H3.
What are the key properties of 5-(2-ethoxyethyl)-4-methyl-1,3-thiazole?
5-(2-ethoxyethyl)-4-methyl-1,3-thiazole has a molecular weight of 171.26 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 11263762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).