5-[(4-ethoxyphenoxy)methyl]-4-methylthiadiazole

C12H14N2O2S — CID 126835428

IUPAC5-[(4-ethoxyphenoxy)methyl]-4-methylthiadiazole
SMILESCCOc1ccc(OCc2snnc2C)cc1
InChIInChI=1S/C12H14N2O2S/c1-3-15-10-4-6-11(7-5-10)16-8-12-9(2)13-14-17-12/h4-7H,3,8H2,1-2H3
InChIKeyVKOBJJRCPGSGLB-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.82
Rot. Bonds5

About 5-[(4-ethoxyphenoxy)methyl]-4-methylthiadiazole

5-[(4-ethoxyphenoxy)methyl]-4-methylthiadiazole (PubChem CID 126835428) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-[(4-ethoxyphenoxy)methyl]-4-methylthiadiazole.

Molecular Properties

Compound Name5-[(4-ethoxyphenoxy)methyl]-4-methylthiadiazole
PubChem CID126835428
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name5-[(4-ethoxyphenoxy)methyl]-4-methylthiadiazole
SMILESCCOc1ccc(OCc2snnc2C)cc1
InChIInChI=1S/C12H14N2O2S/c1-3-15-10-4-6-11(7-5-10)16-8-12-9(2)13-14-17-12/h4-7H,3,8H2,1-2H3
InChIKeyVKOBJJRCPGSGLB-UHFFFAOYSA-N
XLogP2.82
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyphenoxy)methyl]-4-methylthiadiazole?
The IUPAC name of 5-[(4-ethoxyphenoxy)methyl]-4-methylthiadiazole (CID 126835428) is 5-[(4-ethoxyphenoxy)methyl]-4-methylthiadiazole.
What is the SMILES notation for 5-[(4-ethoxyphenoxy)methyl]-4-methylthiadiazole?
The canonical SMILES for 5-[(4-ethoxyphenoxy)methyl]-4-methylthiadiazole is CCOc1ccc(OCc2snnc2C)cc1.
What is the InChIKey of 5-[(4-ethoxyphenoxy)methyl]-4-methylthiadiazole?
The InChIKey is VKOBJJRCPGSGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-3-15-10-4-6-11(7-5-10)16-8-12-9(2)13-14-17-12/h4-7H,3,8H2,1-2H3.
What are the key properties of 5-[(4-ethoxyphenoxy)methyl]-4-methylthiadiazole?
5-[(4-ethoxyphenoxy)methyl]-4-methylthiadiazole has a molecular weight of 250.32 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenoxy)methyl]-4-methylthiadiazole is sourced from PubChem (CID 126835428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).