[2-(3-methylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

C17H14N4OS — CID 94961602

IUPAC[2-(3-methylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCc1cccc(-c2nn3c(CO)c(-c4cccnc4)nc3s2)c1
InChIInChI=1S/C17H14N4OS/c1-11-4-2-5-12(8-11)16-20-21-14(10-22)15(19-17(21)23-16)13-6-3-7-18-9-13/h2-9,22H,10H2,1H3
InChIKeyHOUFLXJNWDGTPY-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.32
Rot. Bonds3

About [2-(3-methylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

[2-(3-methylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (PubChem CID 94961602) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is [2-(3-methylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(3-methylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
PubChem CID94961602
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name[2-(3-methylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCc1cccc(-c2nn3c(CO)c(-c4cccnc4)nc3s2)c1
InChIInChI=1S/C17H14N4OS/c1-11-4-2-5-12(8-11)16-20-21-14(10-22)15(19-17(21)23-16)13-6-3-7-18-9-13/h2-9,22H,10H2,1H3
InChIKeyHOUFLXJNWDGTPY-UHFFFAOYSA-N
XLogP3.32
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219724
2-(3-methylphenyl)-7-(2-pyridin-3-ylethenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 54203423
2-[2-(3-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine
CID 82069588
[2-(3,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961573
ethylphosphane;3-(3-methylphenyl)pyridine
CID 144632052
[3-(3-methylphenyl)-4-pyridinyl]methanol
CID 130118995
6-pyridin-3-yl-3-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 70677181
[2-tert-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961529
methylidenephosphane;3-(3-methylphenyl)pyridine
CID 144875841
[6-(4-methoxy-3-methylphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219619
6-(3-methylphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 850279
3-(3-chlorophenyl)-6-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 11840504

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The IUPAC name of [2-(3-methylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (CID 94961602) is [2-(3-methylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.
What is the SMILES notation for [2-(3-methylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The canonical SMILES for [2-(3-methylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is Cc1cccc(-c2nn3c(CO)c(-c4cccnc4)nc3s2)c1.
What is the InChIKey of [2-(3-methylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The InChIKey is HOUFLXJNWDGTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-11-4-2-5-12(8-11)16-20-21-14(10-22)15(19-17(21)23-16)13-6-3-7-18-9-13/h2-9,22H,10H2,1H3.
What are the key properties of [2-(3-methylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
[2-(3-methylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol has a molecular weight of 322.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is sourced from PubChem (CID 94961602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).