[6-phenyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

C16H13N3OS2 — CID 82219535

IUPAC[6-phenyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESOCc1c(-c2ccccc2)nc2sc(Cc3cccs3)nn12
InChIInChI=1S/C16H13N3OS2/c20-10-13-15(11-5-2-1-3-6-11)17-16-19(13)18-14(22-16)9-12-7-4-8-21-12/h1-8,20H,9-10H2
InChIKeyRQANAGHIFUADGD-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.60
Rot. Bonds4

About [6-phenyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol

[6-phenyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (PubChem CID 82219535) has the molecular formula C16H13N3OS2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [6-phenyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.

Molecular Properties

Compound Name[6-phenyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
PubChem CID82219535
Molecular FormulaC16H13N3OS2
Molecular Weight327.43 g/mol
Exact Mass327.05
IUPAC Name[6-phenyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
SMILESOCc1c(-c2ccccc2)nc2sc(Cc3cccs3)nn12
InChIInChI=1S/C16H13N3OS2/c20-10-13-15(11-5-2-1-3-6-11)17-16-19(13)18-14(22-16)9-12-7-4-8-21-12/h1-8,20H,9-10H2
InChIKeyRQANAGHIFUADGD-UHFFFAOYSA-N
XLogP3.60
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-tert-butyl-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methanol
CID 82219651
[2-butyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961469
6-pyridin-2-yl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219442
[2-(methoxymethyl)-6-(4-propylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961681
[2-tert-butyl-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219587
6-methyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219259
[6-(3,4-dimethylphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961465
(2-chloro-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanol
CID 50878423
5-ethyl-2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646481
[6-methyl-2-(2-phenylethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219738
[5-phenyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine
CID 64717497
[2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219575

Frequently Asked Questions

What is the IUPAC name of [6-phenyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The IUPAC name of [6-phenyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol (CID 82219535) is [6-phenyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol.
What is the SMILES notation for [6-phenyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The canonical SMILES for [6-phenyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is OCc1c(-c2ccccc2)nc2sc(Cc3cccs3)nn12.
What is the InChIKey of [6-phenyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
The InChIKey is RQANAGHIFUADGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS2/c20-10-13-15(11-5-2-1-3-6-11)17-16-19(13)18-14(22-16)9-12-7-4-8-21-12/h1-8,20H,9-10H2.
What are the key properties of [6-phenyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol?
[6-phenyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol has a molecular weight of 327.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-phenyl-2-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol is sourced from PubChem (CID 82219535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).