2-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethanol

C6H7N3OS — CID 21265910

IUPAC2-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethanol
SMILESOCCc1cn2ncsc2n1
InChIInChI=1S/C6H7N3OS/c10-2-1-5-3-9-6(8-5)11-4-7-9/h3-4,10H,1-2H2
InChIKeyGTWXADPBVUZYPV-UHFFFAOYSA-N
MW169.21 g/mol
LogP0.33
Rot. Bonds2

About 2-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethanol

2-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethanol (PubChem CID 21265910) has the molecular formula C6H7N3OS and a molecular weight of 169.21 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethanol.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethanol
PubChem CID21265910
Molecular FormulaC6H7N3OS
Molecular Weight169.21 g/mol
Exact Mass169.03
IUPAC Name2-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethanol
SMILESOCCc1cn2ncsc2n1
InChIInChI=1S/C6H7N3OS/c10-2-1-5-3-9-6(8-5)11-4-7-9/h3-4,10H,1-2H2
InChIKeyGTWXADPBVUZYPV-UHFFFAOYSA-N
XLogP0.33
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethanol?
The IUPAC name of 2-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethanol (CID 21265910) is 2-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethanol.
What is the SMILES notation for 2-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethanol?
The canonical SMILES for 2-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethanol is OCCc1cn2ncsc2n1.
What is the InChIKey of 2-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethanol?
The InChIKey is GTWXADPBVUZYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3OS/c10-2-1-5-3-9-6(8-5)11-4-7-9/h3-4,10H,1-2H2.
What are the key properties of 2-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethanol?
2-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethanol has a molecular weight of 169.21 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethanol is sourced from PubChem (CID 21265910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).