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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Related Compounds

6-Phenyl-2,3-dihydroimidazo(2,1-b)thiazole
CID 432820
4-(2-Methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline
CID 576560
2,3-Dimethyl-6-phenylimidazo[1,2-b][1,2,4]triazine
CID 614255
2,6-Diphenylimidazo[2,1-b][1,3,4]thiadiazole
CID 867602
N,N-dimethyl-3-[3-(pyridin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
CID 17590104
6-Phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 641875
1-[5-(2,4-Difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine
CID 162371039
2-[(1-Methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44549080
6-Phenyl-3-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 932337
6-(4-Methylphenyl)-3-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 936793
6-(3-Methylphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 936863
6-(2-Methylphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 937750

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).