(2-tert-butyl-1,3-thiazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C15H22N2O3S — CID 47883909

IUPAC(2-tert-butyl-1,3-thiazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCC(C)(C)c1ncc(C(=O)N2CCC3(CC2)OCCO3)s1
InChIInChI=1S/C15H22N2O3S/c1-14(2,3)13-16-10-11(21-13)12(18)17-6-4-15(5-7-17)19-8-9-20-15/h10H,4-9H2,1-3H3
InChIKeyGSZOWGYMORNRLG-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.42
Rot. Bonds1

About (2-tert-butyl-1,3-thiazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

(2-tert-butyl-1,3-thiazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 47883909) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is (2-tert-butyl-1,3-thiazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(2-tert-butyl-1,3-thiazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID47883909
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name(2-tert-butyl-1,3-thiazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCC(C)(C)c1ncc(C(=O)N2CCC3(CC2)OCCO3)s1
InChIInChI=1S/C15H22N2O3S/c1-14(2,3)13-16-10-11(21-13)12(18)17-6-4-15(5-7-17)19-8-9-20-15/h10H,4-9H2,1-3H3
InChIKeyGSZOWGYMORNRLG-UHFFFAOYSA-N
XLogP2.42
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1,3-thiazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (2-tert-butyl-1,3-thiazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 47883909) is (2-tert-butyl-1,3-thiazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (2-tert-butyl-1,3-thiazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (2-tert-butyl-1,3-thiazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is CC(C)(C)c1ncc(C(=O)N2CCC3(CC2)OCCO3)s1.
What is the InChIKey of (2-tert-butyl-1,3-thiazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is GSZOWGYMORNRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-14(2,3)13-16-10-11(21-13)12(18)17-6-4-15(5-7-17)19-8-9-20-15/h10H,4-9H2,1-3H3.
What are the key properties of (2-tert-butyl-1,3-thiazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
(2-tert-butyl-1,3-thiazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 310.42 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1,3-thiazol-5-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 47883909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).