ethane;2-ethyl-4-methoxy-1,3-thiazole

C8H15NOS — CID 178037085

IUPACethane;2-ethyl-4-methoxy-1,3-thiazole
SMILESCC.CCc1nc(OC)cs1
InChIInChI=1S/C6H9NOS.C2H6/c1-3-6-7-5(8-2)4-9-6;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyAYMJEJZWXHXUSJ-UHFFFAOYSA-N
MW173.28 g/mol
LogP2.74
Rot. Bonds2

About ethane;2-ethyl-4-methoxy-1,3-thiazole

ethane;2-ethyl-4-methoxy-1,3-thiazole (PubChem CID 178037085) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is ethane;2-ethyl-4-methoxy-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-ethyl-4-methoxy-1,3-thiazole
PubChem CID178037085
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Nameethane;2-ethyl-4-methoxy-1,3-thiazole
SMILESCC.CCc1nc(OC)cs1
InChIInChI=1S/C6H9NOS.C2H6/c1-3-6-7-5(8-2)4-9-6;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyAYMJEJZWXHXUSJ-UHFFFAOYSA-N
XLogP2.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-4-methoxy-1,3-thiazole?
The IUPAC name of ethane;2-ethyl-4-methoxy-1,3-thiazole (CID 178037085) is ethane;2-ethyl-4-methoxy-1,3-thiazole.
What is the SMILES notation for ethane;2-ethyl-4-methoxy-1,3-thiazole?
The canonical SMILES for ethane;2-ethyl-4-methoxy-1,3-thiazole is CC.CCc1nc(OC)cs1.
What is the InChIKey of ethane;2-ethyl-4-methoxy-1,3-thiazole?
The InChIKey is AYMJEJZWXHXUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS.C2H6/c1-3-6-7-5(8-2)4-9-6;1-2/h4H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethyl-4-methoxy-1,3-thiazole?
ethane;2-ethyl-4-methoxy-1,3-thiazole has a molecular weight of 173.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-4-methoxy-1,3-thiazole is sourced from PubChem (CID 178037085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).