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

C18H27N3O2S — CID 118741025

IUPACoxolan-3-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESO=C(C1CCOC1)N1CCC2(CCN(Cc3nccs3)CC2)CC1
InChIInChI=1S/C18H27N3O2S/c22-17(15-1-11-23-14-15)21-9-4-18(5-10-21)2-7-20(8-3-18)13-16-19-6-12-24-16/h6,12,15H,1-5,7-11,13-14H2
InChIKeyPIOYEMJYYCOHQS-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.38
Rot. Bonds3

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

oxolan-3-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone (PubChem CID 118741025) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is oxolan-3-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone.

Molecular Properties

Compound Nameoxolan-3-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
PubChem CID118741025
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Nameoxolan-3-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESO=C(C1CCOC1)N1CCC2(CCN(Cc3nccs3)CC2)CC1
InChIInChI=1S/C18H27N3O2S/c22-17(15-1-11-23-14-15)21-9-4-18(5-10-21)2-7-20(8-3-18)13-16-19-6-12-24-16/h6,12,15H,1-5,7-11,13-14H2
InChIKeyPIOYEMJYYCOHQS-UHFFFAOYSA-N
XLogP2.38
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The IUPAC name of oxolan-3-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone (CID 118741025) is oxolan-3-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone.
What is the SMILES notation for oxolan-3-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The canonical SMILES for oxolan-3-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone is O=C(C1CCOC1)N1CCC2(CCN(Cc3nccs3)CC2)CC1.
What is the InChIKey of oxolan-3-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The InChIKey is PIOYEMJYYCOHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c22-17(15-1-11-23-14-15)21-9-4-18(5-10-21)2-7-20(8-3-18)13-16-19-6-12-24-16/h6,12,15H,1-5,7-11,13-14H2.
What are the key properties of oxolan-3-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
oxolan-3-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone has a molecular weight of 349.50 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone is sourced from PubChem (CID 118741025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).