2-[(2-methylphenoxy)methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole

C18H15N3OS — CID 11623933

IUPAC2-[(2-methylphenoxy)methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1ccccc1OCc1nn2cc(-c3ccccc3)nc2s1
InChIInChI=1S/C18H15N3OS/c1-13-7-5-6-10-16(13)22-12-17-20-21-11-15(19-18(21)23-17)14-8-3-2-4-9-14/h2-11H,12H2,1H3
InChIKeyRKMYLIBLXZFSHP-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.35
Rot. Bonds4

About 2-[(2-methylphenoxy)methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole

2-[(2-methylphenoxy)methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 11623933) has the molecular formula C18H15N3OS and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-[(2-methylphenoxy)methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-[(2-methylphenoxy)methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID11623933
Molecular FormulaC18H15N3OS
Molecular Weight321.40 g/mol
Exact Mass321.09
IUPAC Name2-[(2-methylphenoxy)methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1ccccc1OCc1nn2cc(-c3ccccc3)nc2s1
InChIInChI=1S/C18H15N3OS/c1-13-7-5-6-10-16(13)22-12-17-20-21-11-15(19-18(21)23-17)14-8-3-2-4-9-14/h2-11H,12H2,1H3
InChIKeyRKMYLIBLXZFSHP-UHFFFAOYSA-N
XLogP4.35
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenoxy)methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-[(2-methylphenoxy)methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole (CID 11623933) is 2-[(2-methylphenoxy)methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-[(2-methylphenoxy)methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-[(2-methylphenoxy)methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole is Cc1ccccc1OCc1nn2cc(-c3ccccc3)nc2s1.
What is the InChIKey of 2-[(2-methylphenoxy)methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is RKMYLIBLXZFSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-13-7-5-6-10-16(13)22-12-17-20-21-11-15(19-18(21)23-17)14-8-3-2-4-9-14/h2-11H,12H2,1H3.
What are the key properties of 2-[(2-methylphenoxy)methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
2-[(2-methylphenoxy)methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 321.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenoxy)methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 11623933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).