9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one

C14H20N2O2S — CID 56892252

IUPAC9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESCc1nc(CN2CCC3(CCCO3)CCC2=O)cs1
InChIInChI=1S/C14H20N2O2S/c1-11-15-12(10-19-11)9-16-7-6-14(4-2-8-18-14)5-3-13(16)17/h10H,2-9H2,1H3
InChIKeyQARPJCHAKIGJIW-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.51
Rot. Bonds2

About 9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one

9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one (PubChem CID 56892252) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one.

Molecular Properties

Compound Name9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
PubChem CID56892252
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESCc1nc(CN2CCC3(CCCO3)CCC2=O)cs1
InChIInChI=1S/C14H20N2O2S/c1-11-15-12(10-19-11)9-16-7-6-14(4-2-8-18-14)5-3-13(16)17/h10H,2-9H2,1H3
InChIKeyQARPJCHAKIGJIW-UHFFFAOYSA-N
XLogP2.51
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The IUPAC name of 9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one (CID 56892252) is 9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one.
What is the SMILES notation for 9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The canonical SMILES for 9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one is Cc1nc(CN2CCC3(CCCO3)CCC2=O)cs1.
What is the InChIKey of 9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The InChIKey is QARPJCHAKIGJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-11-15-12(10-19-11)9-16-7-6-14(4-2-8-18-14)5-3-13(16)17/h10H,2-9H2,1H3.
What are the key properties of 9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one has a molecular weight of 280.39 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one is sourced from PubChem (CID 56892252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).