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

C11H9N3S — CID 3000039

IUPAC2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2cc(-c3ccccc3)nc2s1
InChIInChI=1S/C11H9N3S/c1-8-13-14-7-10(12-11(14)15-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyNUMSBSZXHFWUTI-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.77
Rot. Bonds1

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

2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 3000039) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID3000039
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2cc(-c3ccccc3)nc2s1
InChIInChI=1S/C11H9N3S/c1-8-13-14-7-10(12-11(14)15-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyNUMSBSZXHFWUTI-UHFFFAOYSA-N
XLogP2.77
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole (CID 3000039) is 2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole is Cc1nn2cc(-c3ccccc3)nc2s1.
What is the InChIKey of 2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is NUMSBSZXHFWUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c1-8-13-14-7-10(12-11(14)15-8)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 215.28 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 3000039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).