4-pyridin-4-yl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

C17H20N4OS — CID 118741112

IUPAC4-pyridin-4-yl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CC(c2ccncc2)C2(CCN(Cc3nccs3)CC2)N1
InChIInChI=1S/C17H20N4OS/c22-15-11-14(13-1-5-18-6-2-13)17(20-15)3-8-21(9-4-17)12-16-19-7-10-23-16/h1-2,5-7,10,14H,3-4,8-9,11-12H2,(H,20,22)
InChIKeyTUISZAVKXVGYIO-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.18
Rot. Bonds3

About 4-pyridin-4-yl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

4-pyridin-4-yl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118741112) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-pyridin-4-yl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-pyridin-4-yl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118741112
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name4-pyridin-4-yl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CC(c2ccncc2)C2(CCN(Cc3nccs3)CC2)N1
InChIInChI=1S/C17H20N4OS/c22-15-11-14(13-1-5-18-6-2-13)17(20-15)3-8-21(9-4-17)12-16-19-7-10-23-16/h1-2,5-7,10,14H,3-4,8-9,11-12H2,(H,20,22)
InChIKeyTUISZAVKXVGYIO-UHFFFAOYSA-N
XLogP2.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-pyridin-4-yl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (CID 118741112) is 4-pyridin-4-yl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-pyridin-4-yl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-pyridin-4-yl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is O=C1CC(c2ccncc2)C2(CCN(Cc3nccs3)CC2)N1.
What is the InChIKey of 4-pyridin-4-yl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is TUISZAVKXVGYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c22-15-11-14(13-1-5-18-6-2-13)17(20-15)3-8-21(9-4-17)12-16-19-7-10-23-16/h1-2,5-7,10,14H,3-4,8-9,11-12H2,(H,20,22).
What are the key properties of 4-pyridin-4-yl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
4-pyridin-4-yl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 328.44 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118741112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).