(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-(1,3-thiazol-4-yl)methanone

C13H19N3O2S — CID 97491909

IUPAC(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-(1,3-thiazol-4-yl)methanone
SMILESCN1CCOCC12CCN(C(=O)c1cscn1)CC2
InChIInChI=1S/C13H19N3O2S/c1-15-6-7-18-9-13(15)2-4-16(5-3-13)12(17)11-8-19-10-14-11/h8,10H,2-7,9H2,1H3
InChIKeyHONZSKPUFCVPTD-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.08
Rot. Bonds1

About (1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-(1,3-thiazol-4-yl)methanone

(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 97491909) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is (1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID97491909
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-(1,3-thiazol-4-yl)methanone
SMILESCN1CCOCC12CCN(C(=O)c1cscn1)CC2
InChIInChI=1S/C13H19N3O2S/c1-15-6-7-18-9-13(15)2-4-16(5-3-13)12(17)11-8-19-10-14-11/h8,10H,2-7,9H2,1H3
InChIKeyHONZSKPUFCVPTD-UHFFFAOYSA-N
XLogP1.08
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-(1,3-thiazol-4-yl)methanone (CID 97491909) is (1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-(1,3-thiazol-4-yl)methanone is CN1CCOCC12CCN(C(=O)c1cscn1)CC2.
What is the InChIKey of (1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is HONZSKPUFCVPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-15-6-7-18-9-13(15)2-4-16(5-3-13)12(17)11-8-19-10-14-11/h8,10H,2-7,9H2,1H3.
What are the key properties of (1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-(1,3-thiazol-4-yl)methanone?
(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 281.38 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 97491909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).