9-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-oxa-9-azaspiro[4.5]decane

C16H19N3OS — CID 72848654

IUPAC9-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-oxa-9-azaspiro[4.5]decane
SMILESc1ccc(-c2nnc(N3CCCC4(CCOC4)C3)s2)cc1
InChIInChI=1S/C16H19N3OS/c1-2-5-13(6-3-1)14-17-18-15(21-14)19-9-4-7-16(11-19)8-10-20-12-16/h1-3,5-6H,4,7-12H2
InChIKeyHAQBPHQRUNPLGX-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.21
Rot. Bonds2

About 9-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-oxa-9-azaspiro[4.5]decane

9-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-oxa-9-azaspiro[4.5]decane (PubChem CID 72848654) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 9-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-oxa-9-azaspiro[4.5]decane
PubChem CID72848654
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name9-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-oxa-9-azaspiro[4.5]decane
SMILESc1ccc(-c2nnc(N3CCCC4(CCOC4)C3)s2)cc1
InChIInChI=1S/C16H19N3OS/c1-2-5-13(6-3-1)14-17-18-15(21-14)19-9-4-7-16(11-19)8-10-20-12-16/h1-3,5-6H,4,7-12H2
InChIKeyHAQBPHQRUNPLGX-UHFFFAOYSA-N
XLogP3.21
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-oxa-9-azaspiro[4.5]decane (CID 72848654) is 9-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-oxa-9-azaspiro[4.5]decane is c1ccc(-c2nnc(N3CCCC4(CCOC4)C3)s2)cc1.
What is the InChIKey of 9-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-oxa-9-azaspiro[4.5]decane?
The InChIKey is HAQBPHQRUNPLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-2-5-13(6-3-1)14-17-18-15(21-14)19-9-4-7-16(11-19)8-10-20-12-16/h1-3,5-6H,4,7-12H2.
What are the key properties of 9-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-oxa-9-azaspiro[4.5]decane?
9-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-oxa-9-azaspiro[4.5]decane has a molecular weight of 301.41 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 72848654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).