ethane;2-methoxy-5-methyl-1,3-thiazole

C7H13NOS — CID 164587133

IUPACethane;2-methoxy-5-methyl-1,3-thiazole
SMILESCC.COc1ncc(C)s1
InChIInChI=1S/C5H7NOS.C2H6/c1-4-3-6-5(7-2)8-4;1-2/h3H,1-2H3;1-2H3
InChIKeyRIJHAWLPJHFMCE-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.49
Rot. Bonds1

About ethane;2-methoxy-5-methyl-1,3-thiazole

ethane;2-methoxy-5-methyl-1,3-thiazole (PubChem CID 164587133) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is ethane;2-methoxy-5-methyl-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-methoxy-5-methyl-1,3-thiazole
PubChem CID164587133
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Nameethane;2-methoxy-5-methyl-1,3-thiazole
SMILESCC.COc1ncc(C)s1
InChIInChI=1S/C5H7NOS.C2H6/c1-4-3-6-5(7-2)8-4;1-2/h3H,1-2H3;1-2H3
InChIKeyRIJHAWLPJHFMCE-UHFFFAOYSA-N
XLogP2.49
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-5-methyl-1,3-thiazole?
The IUPAC name of ethane;2-methoxy-5-methyl-1,3-thiazole (CID 164587133) is ethane;2-methoxy-5-methyl-1,3-thiazole.
What is the SMILES notation for ethane;2-methoxy-5-methyl-1,3-thiazole?
The canonical SMILES for ethane;2-methoxy-5-methyl-1,3-thiazole is CC.COc1ncc(C)s1.
What is the InChIKey of ethane;2-methoxy-5-methyl-1,3-thiazole?
The InChIKey is RIJHAWLPJHFMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS.C2H6/c1-4-3-6-5(7-2)8-4;1-2/h3H,1-2H3;1-2H3.
What are the key properties of ethane;2-methoxy-5-methyl-1,3-thiazole?
ethane;2-methoxy-5-methyl-1,3-thiazole has a molecular weight of 159.25 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-5-methyl-1,3-thiazole is sourced from PubChem (CID 164587133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).