N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3-thiazole-4-carboxamide

C12H16N2O3S — CID 78926012

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCC2(CC1)OCCO2)c1cscn1
InChIInChI=1S/C12H16N2O3S/c15-11(10-7-18-8-13-10)14-9-1-3-12(4-2-9)16-5-6-17-12/h7-9H,1-6H2,(H,14,15)
InChIKeyZOJZQCQRFKTGHT-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.56
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3-thiazole-4-carboxamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3-thiazole-4-carboxamide (PubChem CID 78926012) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3-thiazole-4-carboxamide
PubChem CID78926012
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCC2(CC1)OCCO2)c1cscn1
InChIInChI=1S/C12H16N2O3S/c15-11(10-7-18-8-13-10)14-9-1-3-12(4-2-9)16-5-6-17-12/h7-9H,1-6H2,(H,14,15)
InChIKeyZOJZQCQRFKTGHT-UHFFFAOYSA-N
XLogP1.56
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-dimethylcyclopentyl)-1,3-thiazole-4-carboxamide
CID 115880619
N-(oxolan-3-yl)-1,3-thiazole-4-carboxamide
CID 80713032
N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23113297
N-(4-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 63049397
N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
CID 104626056
N-[2-(1,3-thiazol-4-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 63829725
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide
CID 47249822
N-(1-cyclopentylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 110462193
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide
CID 112729579
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoro-6-hydroxybenzamide
CID 104916913
N-(1-benzylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 63235597
4-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide
CID 78980766

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3-thiazole-4-carboxamide (CID 78926012) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3-thiazole-4-carboxamide is O=C(NC1CCC2(CC1)OCCO2)c1cscn1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZOJZQCQRFKTGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-11(10-7-18-8-13-10)14-9-1-3-12(4-2-9)16-5-6-17-12/h7-9H,1-6H2,(H,14,15).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3-thiazole-4-carboxamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 78926012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).