ethane;ethoxycyclobutane;5-ethyl-1,2-thiazole

C13H25NOS — CID 171831762

IUPACethane;ethoxycyclobutane;5-ethyl-1,2-thiazole
SMILESCC.CCOC1CCC1.CCc1ccns1
InChIInChI=1S/C6H12O.C5H7NS.C2H6/c1-2-7-6-4-3-5-6;1-2-5-3-4-6-7-5;1-2/h6H,2-5H2,1H3;3-4H,2H2,1H3;1-2H3
InChIKeySJYYNTHTVWYABZ-UHFFFAOYSA-N
MW243.42 g/mol
LogP4.31
Rot. Bonds3

About ethane;ethoxycyclobutane;5-ethyl-1,2-thiazole

ethane;ethoxycyclobutane;5-ethyl-1,2-thiazole (PubChem CID 171831762) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is ethane;ethoxycyclobutane;5-ethyl-1,2-thiazole.

Molecular Properties

Compound Nameethane;ethoxycyclobutane;5-ethyl-1,2-thiazole
PubChem CID171831762
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Nameethane;ethoxycyclobutane;5-ethyl-1,2-thiazole
SMILESCC.CCOC1CCC1.CCc1ccns1
InChIInChI=1S/C6H12O.C5H7NS.C2H6/c1-2-7-6-4-3-5-6;1-2-5-3-4-6-7-5;1-2/h6H,2-5H2,1H3;3-4H,2H2,1H3;1-2H3
InChIKeySJYYNTHTVWYABZ-UHFFFAOYSA-N
XLogP4.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethane;5-propyl-1,2-thiazole
CID 177016512
4-(1,2-Thiazol-5-yl)butan-2-ol
CID 130914167

Frequently Asked Questions

What is the IUPAC name of ethane;ethoxycyclobutane;5-ethyl-1,2-thiazole?
The IUPAC name of ethane;ethoxycyclobutane;5-ethyl-1,2-thiazole (CID 171831762) is ethane;ethoxycyclobutane;5-ethyl-1,2-thiazole.
What is the SMILES notation for ethane;ethoxycyclobutane;5-ethyl-1,2-thiazole?
The canonical SMILES for ethane;ethoxycyclobutane;5-ethyl-1,2-thiazole is CC.CCOC1CCC1.CCc1ccns1.
What is the InChIKey of ethane;ethoxycyclobutane;5-ethyl-1,2-thiazole?
The InChIKey is SJYYNTHTVWYABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C5H7NS.C2H6/c1-2-7-6-4-3-5-6;1-2-5-3-4-6-7-5;1-2/h6H,2-5H2,1H3;3-4H,2H2,1H3;1-2H3.
What are the key properties of ethane;ethoxycyclobutane;5-ethyl-1,2-thiazole?
ethane;ethoxycyclobutane;5-ethyl-1,2-thiazole has a molecular weight of 243.42 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethoxycyclobutane;5-ethyl-1,2-thiazole is sourced from PubChem (CID 171831762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).