4-methoxy-2-pentyl-1,3-thiazole

C9H15NOS — CID 129275187

IUPAC4-methoxy-2-pentyl-1,3-thiazole
SMILESCCCCCc1nc(OC)cs1
InChIInChI=1S/C9H15NOS/c1-3-4-5-6-9-10-8(11-2)7-12-9/h7H,3-6H2,1-2H3
InChIKeyWNGPDPYROKIFRI-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.88
Rot. Bonds5

About 4-methoxy-2-pentyl-1,3-thiazole

4-methoxy-2-pentyl-1,3-thiazole (PubChem CID 129275187) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 4-methoxy-2-pentyl-1,3-thiazole.

Molecular Properties

Compound Name4-methoxy-2-pentyl-1,3-thiazole
PubChem CID129275187
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name4-methoxy-2-pentyl-1,3-thiazole
SMILESCCCCCc1nc(OC)cs1
InChIInChI=1S/C9H15NOS/c1-3-4-5-6-9-10-8(11-2)7-12-9/h7H,3-6H2,1-2H3
InChIKeyWNGPDPYROKIFRI-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

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 4-methoxy-2-pentyl-1,3-thiazole?
The IUPAC name of 4-methoxy-2-pentyl-1,3-thiazole (CID 129275187) is 4-methoxy-2-pentyl-1,3-thiazole.
What is the SMILES notation for 4-methoxy-2-pentyl-1,3-thiazole?
The canonical SMILES for 4-methoxy-2-pentyl-1,3-thiazole is CCCCCc1nc(OC)cs1.
What is the InChIKey of 4-methoxy-2-pentyl-1,3-thiazole?
The InChIKey is WNGPDPYROKIFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-3-4-5-6-9-10-8(11-2)7-12-9/h7H,3-6H2,1-2H3.
What are the key properties of 4-methoxy-2-pentyl-1,3-thiazole?
4-methoxy-2-pentyl-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-methoxy-2-pentyl-1,3-thiazole is sourced from PubChem (CID 129275187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).