ethane;2-ethylfuran;2-propyl-1,3-thiazole

C14H23NOS — CID 142909543

IUPACethane;2-ethylfuran;2-propyl-1,3-thiazole
SMILESCC.CCCc1nccs1.CCc1ccco1
InChIInChI=1S/C6H9NS.C6H8O.C2H6/c1-2-3-6-7-4-5-8-6;1-2-6-4-3-5-7-6;1-2/h4-5H,2-3H2,1H3;3-5H,2H2,1H3;1-2H3
InChIKeyMPAUVIJQWINYMG-UHFFFAOYSA-N
MW253.41 g/mol
LogP4.96
Rot. Bonds3

About ethane;2-ethylfuran;2-propyl-1,3-thiazole

ethane;2-ethylfuran;2-propyl-1,3-thiazole (PubChem CID 142909543) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is ethane;2-ethylfuran;2-propyl-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-ethylfuran;2-propyl-1,3-thiazole
PubChem CID142909543
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Nameethane;2-ethylfuran;2-propyl-1,3-thiazole
SMILESCC.CCCc1nccs1.CCc1ccco1
InChIInChI=1S/C6H9NS.C6H8O.C2H6/c1-2-3-6-7-4-5-8-6;1-2-6-4-3-5-7-6;1-2/h4-5H,2-3H2,1H3;3-5H,2H2,1H3;1-2H3
InChIKeyMPAUVIJQWINYMG-UHFFFAOYSA-N
XLogP4.96
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethylfuran;2-propyl-1,3-thiazole?
The IUPAC name of ethane;2-ethylfuran;2-propyl-1,3-thiazole (CID 142909543) is ethane;2-ethylfuran;2-propyl-1,3-thiazole.
What is the SMILES notation for ethane;2-ethylfuran;2-propyl-1,3-thiazole?
The canonical SMILES for ethane;2-ethylfuran;2-propyl-1,3-thiazole is CC.CCCc1nccs1.CCc1ccco1.
What is the InChIKey of ethane;2-ethylfuran;2-propyl-1,3-thiazole?
The InChIKey is MPAUVIJQWINYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS.C6H8O.C2H6/c1-2-3-6-7-4-5-8-6;1-2-6-4-3-5-7-6;1-2/h4-5H,2-3H2,1H3;3-5H,2H2,1H3;1-2H3.
What are the key properties of ethane;2-ethylfuran;2-propyl-1,3-thiazole?
ethane;2-ethylfuran;2-propyl-1,3-thiazole has a molecular weight of 253.41 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethylfuran;2-propyl-1,3-thiazole is sourced from PubChem (CID 142909543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).