pyridin-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone

C19H24N4OS — CID 3232838

IUPACpyridin-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESO=C(c1ccncc1)N1CCC2(CCN(Cc3nccs3)CC2)CC1
InChIInChI=1S/C19H24N4OS/c24-18(16-1-7-20-8-2-16)23-12-5-19(6-13-23)3-10-22(11-4-19)15-17-21-9-14-25-17/h1-2,7-9,14H,3-6,10-13,15H2
InChIKeyOQFHVBNRCROMLG-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.06
Rot. Bonds3

About pyridin-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone

pyridin-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone (PubChem CID 3232838) has the molecular formula C19H24N4OS and a molecular weight of 356.49 g/mol. Its IUPAC name is pyridin-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone.

Molecular Properties

Compound Namepyridin-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
PubChem CID3232838
Molecular FormulaC19H24N4OS
Molecular Weight356.49 g/mol
Exact Mass356.17
IUPAC Namepyridin-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESO=C(c1ccncc1)N1CCC2(CCN(Cc3nccs3)CC2)CC1
InChIInChI=1S/C19H24N4OS/c24-18(16-1-7-20-8-2-16)23-12-5-19(6-13-23)3-10-22(11-4-19)15-17-21-9-14-25-17/h1-2,7-9,14H,3-6,10-13,15H2
InChIKeyOQFHVBNRCROMLG-UHFFFAOYSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The IUPAC name of pyridin-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone (CID 3232838) is pyridin-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone.
What is the SMILES notation for pyridin-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The canonical SMILES for pyridin-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone is O=C(c1ccncc1)N1CCC2(CCN(Cc3nccs3)CC2)CC1.
What is the InChIKey of pyridin-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The InChIKey is OQFHVBNRCROMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c24-18(16-1-7-20-8-2-16)23-12-5-19(6-13-23)3-10-22(11-4-19)15-17-21-9-14-25-17/h1-2,7-9,14H,3-6,10-13,15H2.
What are the key properties of pyridin-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
pyridin-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone has a molecular weight of 356.49 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone is sourced from PubChem (CID 3232838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).