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

C19H24N4OS — CID 3234433

IUPACpyridin-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(c1ccncc1)N1CCC2(CCCN(Cc3nccs3)C2)CC1
InChIInChI=1S/C19H24N4OS/c24-18(16-2-7-20-8-3-16)23-11-5-19(6-12-23)4-1-10-22(15-19)14-17-21-9-13-25-17/h2-3,7-9,13H,1,4-6,10-12,14-15H2
InChIKeyWPJHZUZTTMHJHE-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.06
Rot. Bonds3

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

pyridin-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 3234433) has the molecular formula C19H24N4OS and a molecular weight of 356.49 g/mol. Its IUPAC name is pyridin-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Namepyridin-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID3234433
Molecular FormulaC19H24N4OS
Molecular Weight356.49 g/mol
Exact Mass356.17
IUPAC Namepyridin-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(c1ccncc1)N1CCC2(CCCN(Cc3nccs3)C2)CC1
InChIInChI=1S/C19H24N4OS/c24-18(16-2-7-20-8-3-16)23-11-5-19(6-12-23)4-1-10-22(15-19)14-17-21-9-13-25-17/h2-3,7-9,13H,1,4-6,10-12,14-15H2
InChIKeyWPJHZUZTTMHJHE-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-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of pyridin-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 3234433) is pyridin-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for pyridin-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for pyridin-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone is O=C(c1ccncc1)N1CCC2(CCCN(Cc3nccs3)C2)CC1.
What is the InChIKey of pyridin-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is WPJHZUZTTMHJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c24-18(16-2-7-20-8-3-16)23-11-5-19(6-12-23)4-1-10-22(15-19)14-17-21-9-13-25-17/h2-3,7-9,13H,1,4-6,10-12,14-15H2.
What are the key properties of pyridin-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
pyridin-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-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-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 3234433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).