2-pentoxy-1,3-thiazole

C8H13NOS — CID 91004486

IUPAC2-pentoxy-1,3-thiazole
SMILESCCCCCOc1nccs1
InChIInChI=1S/C8H13NOS/c1-2-3-4-6-10-8-9-5-7-11-8/h5,7H,2-4,6H2,1H3
InChIKeyAROYLACTNJZEOP-UHFFFAOYSA-N
MW171.27 g/mol
LogP2.71
Rot. Bonds5

About 2-pentoxy-1,3-thiazole

2-pentoxy-1,3-thiazole (PubChem CID 91004486) has the molecular formula C8H13NOS and a molecular weight of 171.27 g/mol. Its IUPAC name is 2-pentoxy-1,3-thiazole.

Molecular Properties

Compound Name2-pentoxy-1,3-thiazole
PubChem CID91004486
Molecular FormulaC8H13NOS
Molecular Weight171.27 g/mol
Exact Mass171.07
IUPAC Name2-pentoxy-1,3-thiazole
SMILESCCCCCOc1nccs1
InChIInChI=1S/C8H13NOS/c1-2-3-4-6-10-8-9-5-7-11-8/h5,7H,2-4,6H2,1H3
InChIKeyAROYLACTNJZEOP-UHFFFAOYSA-N
XLogP2.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 52.71
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-pentoxy-1,3-thiazole?
The IUPAC name of 2-pentoxy-1,3-thiazole (CID 91004486) is 2-pentoxy-1,3-thiazole.
What is the SMILES notation for 2-pentoxy-1,3-thiazole?
The canonical SMILES for 2-pentoxy-1,3-thiazole is CCCCCOc1nccs1.
What is the InChIKey of 2-pentoxy-1,3-thiazole?
The InChIKey is AROYLACTNJZEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-2-3-4-6-10-8-9-5-7-11-8/h5,7H,2-4,6H2,1H3.
What are the key properties of 2-pentoxy-1,3-thiazole?
2-pentoxy-1,3-thiazole has a molecular weight of 171.27 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxy-1,3-thiazole is sourced from PubChem (CID 91004486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).