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

C13H18N2O2S — CID 45193874

IUPACN-(1-oxaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1COC2(CCCCC2)C1)c1cscn1
InChIInChI=1S/C13H18N2O2S/c16-12(11-8-18-9-14-11)15-10-6-13(17-7-10)4-2-1-3-5-13/h8-10H,1-7H2,(H,15,16)
InChIKeyPAVYSFVROVIZBT-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.36
Rot. Bonds2

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

N-(1-oxaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 45193874) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(1-oxaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-oxaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID45193874
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(1-oxaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1COC2(CCCCC2)C1)c1cscn1
InChIInChI=1S/C13H18N2O2S/c16-12(11-8-18-9-14-11)15-10-6-13(17-7-10)4-2-1-3-5-13/h8-10H,1-7H2,(H,15,16)
InChIKeyPAVYSFVROVIZBT-UHFFFAOYSA-N
XLogP2.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-oxaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide (CID 45193874) is N-(1-oxaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-oxaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-oxaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide is O=C(NC1COC2(CCCCC2)C1)c1cscn1.
What is the InChIKey of N-(1-oxaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is PAVYSFVROVIZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-12(11-8-18-9-14-11)15-10-6-13(17-7-10)4-2-1-3-5-13/h8-10H,1-7H2,(H,15,16).
What are the key properties of N-(1-oxaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide?
N-(1-oxaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[4.5]decan-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 45193874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).