(6S,11S)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-11-ol

C17H22N4OS — CID 164689099

IUPAC(6S,11S)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-11-ol
SMILESO[C@H]1CCNC[C@]12CCCN(c1nnc(-c3ccccc3)s1)C2
InChIInChI=1S/C17H22N4OS/c22-14-7-9-18-11-17(14)8-4-10-21(12-17)16-20-19-15(23-16)13-5-2-1-3-6-13/h1-3,5-6,14,18,22H,4,7-12H2/t14-,17-/m0/s1
InChIKeyQZPQQRFHGUBOJX-YOEHRIQHSA-N
MW330.46 g/mol
LogP2.15
Rot. Bonds2

About (6S,11S)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-11-ol

(6S,11S)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-11-ol (PubChem CID 164689099) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is (6S,11S)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-11-ol.

Molecular Properties

Compound Name(6S,11S)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-11-ol
PubChem CID164689099
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name(6S,11S)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-11-ol
SMILESO[C@H]1CCNC[C@]12CCCN(c1nnc(-c3ccccc3)s1)C2
InChIInChI=1S/C17H22N4OS/c22-14-7-9-18-11-17(14)8-4-10-21(12-17)16-20-19-15(23-16)13-5-2-1-3-6-13/h1-3,5-6,14,18,22H,4,7-12H2/t14-,17-/m0/s1
InChIKeyQZPQQRFHGUBOJX-YOEHRIQHSA-N
XLogP2.15
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6S,11S)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-11-ol?
The IUPAC name of (6S,11S)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-11-ol (CID 164689099) is (6S,11S)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-11-ol.
What is the SMILES notation for (6S,11S)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-11-ol?
The canonical SMILES for (6S,11S)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-11-ol is O[C@H]1CCNC[C@]12CCCN(c1nnc(-c3ccccc3)s1)C2.
What is the InChIKey of (6S,11S)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-11-ol?
The InChIKey is QZPQQRFHGUBOJX-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H22N4OS/c22-14-7-9-18-11-17(14)8-4-10-21(12-17)16-20-19-15(23-16)13-5-2-1-3-6-13/h1-3,5-6,14,18,22H,4,7-12H2/t14-,17-/m0/s1.
What are the key properties of (6S,11S)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-11-ol?
(6S,11S)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-11-ol has a molecular weight of 330.46 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,11S)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-11-ol is sourced from PubChem (CID 164689099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).