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

C17H22N4O2S2 — CID 71463243

IUPACN-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NN1C(=O)C(C)SC12CCC(C)CC2
InChIInChI=1S/C17H22N4O2S2/c1-10-4-6-17(7-5-10)21(15(23)12(3)25-17)19-14(22)13-11(2)18-16-20(13)8-9-24-16/h8-10,12H,4-7H2,1-3H3,(H,19,22)
InChIKeyAVRCEBPKTNTHMR-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.22
Rot. Bonds2

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

N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 71463243) has the molecular formula C17H22N4O2S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(2,8-dimethyl-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-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID71463243
Molecular FormulaC17H22N4O2S2
Molecular Weight378.52 g/mol
Exact Mass378.12
IUPAC NameN-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NN1C(=O)C(C)SC12CCC(C)CC2
InChIInChI=1S/C17H22N4O2S2/c1-10-4-6-17(7-5-10)21(15(23)12(3)25-17)19-14(22)13-11(2)18-16-20(13)8-9-24-16/h8-10,12H,4-7H2,1-3H3,(H,19,22)
InChIKeyAVRCEBPKTNTHMR-UHFFFAOYSA-N
XLogP3.22
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
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-(2,8-dimethyl-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-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 71463243) is N-(2,8-dimethyl-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-(2,8-dimethyl-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-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sccn2c1C(=O)NN1C(=O)C(C)SC12CCC(C)CC2.
What is the InChIKey of N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is AVRCEBPKTNTHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S2/c1-10-4-6-17(7-5-10)21(15(23)12(3)25-17)19-14(22)13-11(2)18-16-20(13)8-9-24-16/h8-10,12H,4-7H2,1-3H3,(H,19,22).
What are the key properties of N-(2,8-dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-(2,8-dimethyl-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, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,8-dimethyl-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 71463243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).