pyridin-4-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone

C18H22N4OS — CID 3233422

IUPACpyridin-4-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESO=C(c1ccncc1)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C18H22N4OS/c23-17(15-2-6-19-7-3-15)22-9-1-4-18(14-22)5-10-21(13-18)12-16-20-8-11-24-16/h2-3,6-8,11H,1,4-5,9-10,12-14H2/t18-/m0/s1
InChIKeyWAWQVWQZTXTNMV-SFHVURJKSA-N
MW342.47 g/mol
LogP2.67
Rot. Bonds3

About pyridin-4-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone

pyridin-4-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 3233422) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is pyridin-4-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Namepyridin-4-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID3233422
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Namepyridin-4-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESO=C(c1ccncc1)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C18H22N4OS/c23-17(15-2-6-19-7-3-15)22-9-1-4-18(14-22)5-10-21(13-18)12-16-20-8-11-24-16/h2-3,6-8,11H,1,4-5,9-10,12-14H2/t18-/m0/s1
InChIKeyWAWQVWQZTXTNMV-SFHVURJKSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of pyridin-4-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 3233422) is pyridin-4-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for pyridin-4-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for pyridin-4-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone is O=C(c1ccncc1)N1CCC[C@@]2(CCN(Cc3nccs3)C2)C1.
What is the InChIKey of pyridin-4-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is WAWQVWQZTXTNMV-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N4OS/c23-17(15-2-6-19-7-3-15)22-9-1-4-18(14-22)5-10-21(13-18)12-16-20-8-11-24-16/h2-3,6-8,11H,1,4-5,9-10,12-14H2/t18-/m0/s1.
What are the key properties of pyridin-4-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
pyridin-4-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 342.47 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 3233422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).