[2-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol

C18H17N5OS — CID 58285638

IUPAC[2-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol
SMILESOCc1ccccc1-c1cnc2sc(NCCc3ccccn3)nn12
InChIInChI=1S/C18H17N5OS/c24-12-13-5-1-2-7-15(13)16-11-21-18-23(16)22-17(25-18)20-10-8-14-6-3-4-9-19-14/h1-7,9,11,24H,8,10,12H2,(H,20,22)
InChIKeyHGCIMWQISCYGLE-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.00
Rot. Bonds6

About [2-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol

[2-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol (PubChem CID 58285638) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is [2-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol
PubChem CID58285638
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC Name[2-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol
SMILESOCc1ccccc1-c1cnc2sc(NCCc3ccccn3)nn12
InChIInChI=1S/C18H17N5OS/c24-12-13-5-1-2-7-15(13)16-11-21-18-23(16)22-17(25-18)20-10-8-14-6-3-4-9-19-14/h1-7,9,11,24H,8,10,12H2,(H,20,22)
InChIKeyHGCIMWQISCYGLE-UHFFFAOYSA-N
XLogP3.00
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol?
The IUPAC name of [2-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol (CID 58285638) is [2-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol.
What is the SMILES notation for [2-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol?
The canonical SMILES for [2-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol is OCc1ccccc1-c1cnc2sc(NCCc3ccccn3)nn12.
What is the InChIKey of [2-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol?
The InChIKey is HGCIMWQISCYGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c24-12-13-5-1-2-7-15(13)16-11-21-18-23(16)22-17(25-18)20-10-8-14-6-3-4-9-19-14/h1-7,9,11,24H,8,10,12H2,(H,20,22).
What are the key properties of [2-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol?
[2-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol has a molecular weight of 351.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenyl]methanol is sourced from PubChem (CID 58285638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).