2-methyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazole

C17H13N3S — CID 2999713

IUPAC2-methyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2cc(-c3ccc(-c4ccccc4)cc3)nc2s1
InChIInChI=1S/C17H13N3S/c1-12-19-20-11-16(18-17(20)21-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyPJYGWBZENYWMCO-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.43
Rot. Bonds2

About 2-methyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazole

2-methyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 2999713) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-methyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-methyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID2999713
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name2-methyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1nn2cc(-c3ccc(-c4ccccc4)cc3)nc2s1
InChIInChI=1S/C17H13N3S/c1-12-19-20-11-16(18-17(20)21-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyPJYGWBZENYWMCO-UHFFFAOYSA-N
XLogP4.43
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-Ethylphenyl)-2-phenylimidazo[1,2-b][1,2,4]triazine
CID 627189
4-(2-Methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)aniline
CID 576560
2,6-Diphenylimidazo[2,1-b][1,3,4]thiadiazole
CID 867602
6-Phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 641875
7-Phenyl-6-p-tolyl-2,3-dihydro-imidazo[2,1-b]thiazol-7-ium
CID 16682235
1-[5-(2,4-Difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine
CID 162371039
3-(4-Tert-butylphenyl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 848736
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
6-(2-Methylphenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 5306520

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-methyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 2999713) is 2-methyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-methyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-methyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazole is Cc1nn2cc(-c3ccc(-c4ccccc4)cc3)nc2s1.
What is the InChIKey of 2-methyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is PJYGWBZENYWMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c1-12-19-20-11-16(18-17(20)21-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 2-methyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
2-methyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 291.38 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 2999713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).