2-(1H-indazol-4-yloxy)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole

C17H11N5OS — CID 47069032

IUPAC2-(1H-indazol-4-yloxy)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESc1ccc(-c2cn3nc(Oc4cccc5[nH]ncc45)sc3n2)cc1
InChIInChI=1S/C17H11N5OS/c1-2-5-11(6-3-1)14-10-22-16(19-14)24-17(21-22)23-15-8-4-7-13-12(15)9-18-20-13/h1-10H,(H,18,20)
InChIKeyNKOVNXOQTURVHM-UHFFFAOYSA-N
MW333.38 g/mol
LogP4.13
Rot. Bonds3

About 2-(1H-indazol-4-yloxy)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole

2-(1H-indazol-4-yloxy)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 47069032) has the molecular formula C17H11N5OS and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-(1H-indazol-4-yloxy)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(1H-indazol-4-yloxy)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID47069032
Molecular FormulaC17H11N5OS
Molecular Weight333.38 g/mol
Exact Mass333.07
IUPAC Name2-(1H-indazol-4-yloxy)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESc1ccc(-c2cn3nc(Oc4cccc5[nH]ncc45)sc3n2)cc1
InChIInChI=1S/C17H11N5OS/c1-2-5-11(6-3-1)14-10-22-16(19-14)24-17(21-22)23-15-8-4-7-13-12(15)9-18-20-13/h1-10H,(H,18,20)
InChIKeyNKOVNXOQTURVHM-UHFFFAOYSA-N
XLogP4.13
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-4-yloxy)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(1H-indazol-4-yloxy)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole (CID 47069032) is 2-(1H-indazol-4-yloxy)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-(1H-indazol-4-yloxy)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(1H-indazol-4-yloxy)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole is c1ccc(-c2cn3nc(Oc4cccc5[nH]ncc45)sc3n2)cc1.
What is the InChIKey of 2-(1H-indazol-4-yloxy)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is NKOVNXOQTURVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5OS/c1-2-5-11(6-3-1)14-10-22-16(19-14)24-17(21-22)23-15-8-4-7-13-12(15)9-18-20-13/h1-10H,(H,18,20).
What are the key properties of 2-(1H-indazol-4-yloxy)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
2-(1H-indazol-4-yloxy)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 333.38 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-4-yloxy)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 47069032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).