N-(8-ethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C17H22N4O2S2 — CID 11188115

IUPACN-(8-ethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCCC1CCC2(CC1)SCC(=O)N2NC(=O)c1c(C)nc2sccn12
InChIInChI=1S/C17H22N4O2S2/c1-3-12-4-6-17(7-5-12)21(13(22)10-25-17)19-15(23)14-11(2)18-16-20(14)8-9-24-16/h8-9,12H,3-7,10H2,1-2H3,(H,19,23)
InChIKeyNBDOKPATQMBINI-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.22
Rot. Bonds3

About N-(8-ethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-(8-ethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 11188115) has the molecular formula C17H22N4O2S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(8-ethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(8-ethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID11188115
Molecular FormulaC17H22N4O2S2
Molecular Weight378.52 g/mol
Exact Mass378.12
IUPAC NameN-(8-ethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCCC1CCC2(CC1)SCC(=O)N2NC(=O)c1c(C)nc2sccn12
InChIInChI=1S/C17H22N4O2S2/c1-3-12-4-6-17(7-5-12)21(13(22)10-25-17)19-15(23)14-11(2)18-16-20(14)8-9-24-16/h8-9,12H,3-7,10H2,1-2H3,(H,19,23)
InChIKeyNBDOKPATQMBINI-UHFFFAOYSA-N
XLogP3.22
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(8-ethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(8-ethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 11188115) is N-(8-ethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(8-ethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(8-ethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is CCC1CCC2(CC1)SCC(=O)N2NC(=O)c1c(C)nc2sccn12.
What is the InChIKey of N-(8-ethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is NBDOKPATQMBINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S2/c1-3-12-4-6-17(7-5-12)21(13(22)10-25-17)19-15(23)14-11(2)18-16-20(14)8-9-24-16/h8-9,12H,3-7,10H2,1-2H3,(H,19,23).
What are the key properties of N-(8-ethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-(8-ethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-ethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 11188115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).