2-(3-hydroxypropyl)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

C16H25N3O2S — CID 70724776

IUPAC2-(3-hydroxypropyl)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3nccs3)CC2)CN1CCCO
InChIInChI=1S/C16H25N3O2S/c20-10-1-7-19-13-16(3-2-15(19)21)4-8-18(9-5-16)12-14-17-6-11-22-14/h6,11,20H,1-5,7-10,12-13H2
InChIKeyGJQQAWGZDVHUEG-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.73
Rot. Bonds5

About 2-(3-hydroxypropyl)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(3-hydroxypropyl)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70724776) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70724776
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name2-(3-hydroxypropyl)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3nccs3)CC2)CN1CCCO
InChIInChI=1S/C16H25N3O2S/c20-10-1-7-19-13-16(3-2-15(19)21)4-8-18(9-5-16)12-14-17-6-11-22-14/h6,11,20H,1-5,7-10,12-13H2
InChIKeyGJQQAWGZDVHUEG-UHFFFAOYSA-N
XLogP1.73
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70724776) is 2-(3-hydroxypropyl)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(Cc3nccs3)CC2)CN1CCCO.
What is the InChIKey of 2-(3-hydroxypropyl)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is GJQQAWGZDVHUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c20-10-1-7-19-13-16(3-2-15(19)21)4-8-18(9-5-16)12-14-17-6-11-22-14/h6,11,20H,1-5,7-10,12-13H2.
What are the key properties of 2-(3-hydroxypropyl)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(3-hydroxypropyl)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 323.46 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70724776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).