4-butyl-5-ethoxy-1,3-thiazole

C9H15NOS — CID 174918700

IUPAC4-butyl-5-ethoxy-1,3-thiazole
SMILESCCCCc1ncsc1OCC
InChIInChI=1S/C9H15NOS/c1-3-5-6-8-9(11-4-2)12-7-10-8/h7H,3-6H2,1-2H3
InChIKeyLVHPONYCQFPWFC-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.88
Rot. Bonds5

About 4-butyl-5-ethoxy-1,3-thiazole

4-butyl-5-ethoxy-1,3-thiazole (PubChem CID 174918700) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 4-butyl-5-ethoxy-1,3-thiazole.

Molecular Properties

Compound Name4-butyl-5-ethoxy-1,3-thiazole
PubChem CID174918700
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name4-butyl-5-ethoxy-1,3-thiazole
SMILESCCCCc1ncsc1OCC
InChIInChI=1S/C9H15NOS/c1-3-5-6-8-9(11-4-2)12-7-10-8/h7H,3-6H2,1-2H3
InChIKeyLVHPONYCQFPWFC-UHFFFAOYSA-N
XLogP2.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-ethoxy-1,3-thiazole?
The IUPAC name of 4-butyl-5-ethoxy-1,3-thiazole (CID 174918700) is 4-butyl-5-ethoxy-1,3-thiazole.
What is the SMILES notation for 4-butyl-5-ethoxy-1,3-thiazole?
The canonical SMILES for 4-butyl-5-ethoxy-1,3-thiazole is CCCCc1ncsc1OCC.
What is the InChIKey of 4-butyl-5-ethoxy-1,3-thiazole?
The InChIKey is LVHPONYCQFPWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-3-5-6-8-9(11-4-2)12-7-10-8/h7H,3-6H2,1-2H3.
What are the key properties of 4-butyl-5-ethoxy-1,3-thiazole?
4-butyl-5-ethoxy-1,3-thiazole has a molecular weight of 185.29 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-ethoxy-1,3-thiazole is sourced from PubChem (CID 174918700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).