[6-methyl-2-(2-phenylethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

C14H15N3OS — CID 82219738

IUPAC[6-methyl-2-(2-phenylethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCc1nc2sc(CCc3ccccc3)nn2c1CO
InChIInChI=1S/C14H15N3OS/c1-10-12(9-18)17-14(15-10)19-13(16-17)8-7-11-5-3-2-4-6-11/h2-6,18H,7-9H2,1H3
InChIKeyDYXWQVQAMVZODS-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.38
Rot. Bonds4

About [6-methyl-2-(2-phenylethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

[6-methyl-2-(2-phenylethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (PubChem CID 82219738) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is [6-methyl-2-(2-phenylethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.

Molecular Properties

Compound Name[6-methyl-2-(2-phenylethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
PubChem CID82219738
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name[6-methyl-2-(2-phenylethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESCc1nc2sc(CCc3ccccc3)nn2c1CO
InChIInChI=1S/C14H15N3OS/c1-10-12(9-18)17-14(15-10)19-13(16-17)8-7-11-5-3-2-4-6-11/h2-6,18H,7-9H2,1H3
InChIKeyDYXWQVQAMVZODS-UHFFFAOYSA-N
XLogP2.38
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-chlorophenoxy)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961578
[2-(1H-indol-3-ylmethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219731
[2-(3,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961573
3-(4-methylphenyl)-6-(3-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71820965
5-methyl-3-[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1,2-oxazole
CID 4894788
[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219724
[2-(methoxymethyl)-6-(4-propylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961681
[2-butyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961469
7-[2-(4-hydroxyphenyl)ethyl]-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 82554538
[6-phenyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219535
3-(1-adamantyl)-6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 75539196
N-ethyl-N-[[6-(3-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]ethanamine
CID 52903156

Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(2-phenylethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The IUPAC name of [6-methyl-2-(2-phenylethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (CID 82219738) is [6-methyl-2-(2-phenylethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.
What is the SMILES notation for [6-methyl-2-(2-phenylethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The canonical SMILES for [6-methyl-2-(2-phenylethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is Cc1nc2sc(CCc3ccccc3)nn2c1CO.
What is the InChIKey of [6-methyl-2-(2-phenylethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The InChIKey is DYXWQVQAMVZODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-10-12(9-18)17-14(15-10)19-13(16-17)8-7-11-5-3-2-4-6-11/h2-6,18H,7-9H2,1H3.
What are the key properties of [6-methyl-2-(2-phenylethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
[6-methyl-2-(2-phenylethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol has a molecular weight of 273.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(2-phenylethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is sourced from PubChem (CID 82219738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).