6-phenyl-2-(pyridin-3-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole

C16H12N4O2S2 — CID 11314285

IUPAC6-phenyl-2-(pyridin-3-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESO=S(=O)(Cc1cccnc1)c1nn2cc(-c3ccccc3)nc2s1
InChIInChI=1S/C16H12N4O2S2/c21-24(22,11-12-5-4-8-17-9-12)16-19-20-10-14(18-15(20)23-16)13-6-2-1-3-7-13/h1-10H,11H2
InChIKeyVQZDINTYRIEVIP-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.83
Rot. Bonds4

About 6-phenyl-2-(pyridin-3-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole

6-phenyl-2-(pyridin-3-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 11314285) has the molecular formula C16H12N4O2S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 6-phenyl-2-(pyridin-3-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-phenyl-2-(pyridin-3-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID11314285
Molecular FormulaC16H12N4O2S2
Molecular Weight356.43 g/mol
Exact Mass356.04
IUPAC Name6-phenyl-2-(pyridin-3-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESO=S(=O)(Cc1cccnc1)c1nn2cc(-c3ccccc3)nc2s1
InChIInChI=1S/C16H12N4O2S2/c21-24(22,11-12-5-4-8-17-9-12)16-19-20-10-14(18-15(20)23-16)13-6-2-1-3-7-13/h1-10H,11H2
InChIKeyVQZDINTYRIEVIP-UHFFFAOYSA-N
XLogP2.83
TPSA77.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-methylphenyl)-2-(pyridin-2-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 58662599
N-phenyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462554
6-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67220988
(E)-3-[4-[2-(pyridin-3-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]prop-2-enoic acid
CID 67335354
2-(4-phenylpiperazin-1-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462553
bromomethane;6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
CID 91559737
N-[(2-methoxyphenyl)methyl]-N-methyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462980
6-(3-phenyl-1,2-oxazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide
CID 21110249
N-prop-2-ynyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133481591
N-[(3,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462771
N-methyl-6-pyridin-3-yl-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462711
N-(pyridin-3-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67108322

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(pyridin-3-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-phenyl-2-(pyridin-3-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 11314285) is 6-phenyl-2-(pyridin-3-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-phenyl-2-(pyridin-3-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-phenyl-2-(pyridin-3-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole is O=S(=O)(Cc1cccnc1)c1nn2cc(-c3ccccc3)nc2s1.
What is the InChIKey of 6-phenyl-2-(pyridin-3-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is VQZDINTYRIEVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S2/c21-24(22,11-12-5-4-8-17-9-12)16-19-20-10-14(18-15(20)23-16)13-6-2-1-3-7-13/h1-10H,11H2.
What are the key properties of 6-phenyl-2-(pyridin-3-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole?
6-phenyl-2-(pyridin-3-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 356.43 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(pyridin-3-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 11314285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).