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N-[2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-1,3-thiazole-2-carboxamide

C18H21N5O2S — CID 76710747

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-1,3-thiazole-2-carboxamide
SMILESCc1nccc(N2CCC3(CCCC(NC(=O)c4nccs4)C3)C2=O)n1
InChIInChI=1S/C18H21N5O2S/c1-12-19-7-4-14(21-12)23-9-6-18(17(23)25)5-2-3-13(11-18)22-15(24)16-20-8-10-26-16/h4,7-8,10,13H,2-3,5-6,9,11H2,1H3,(H,22,24)
InChIKeyKPDZDDXUMMFCLA-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.34
Rot. Bonds3

About N-[2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-1,3-thiazole-2-carboxamide

N-[2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-1,3-thiazole-2-carboxamide (PubChem CID 76710747) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-[2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-1,3-thiazole-2-carboxamide
PubChem CID76710747
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN-[2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-1,3-thiazole-2-carboxamide
SMILESCc1nccc(N2CCC3(CCCC(NC(=O)c4nccs4)C3)C2=O)n1
InChIInChI=1S/C18H21N5O2S/c1-12-19-7-4-14(21-12)23-9-6-18(17(23)25)5-2-3-13(11-18)22-15(24)16-20-8-10-26-16/h4,7-8,10,13H,2-3,5-6,9,11H2,1H3,(H,22,24)
InChIKeyKPDZDDXUMMFCLA-UHFFFAOYSA-N
XLogP2.34
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-1,3-thiazole-2-carboxamide (CID 76710747) is N-[2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-1,3-thiazole-2-carboxamide is Cc1nccc(N2CCC3(CCCC(NC(=O)c4nccs4)C3)C2=O)n1.
What is the InChIKey of N-[2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-1,3-thiazole-2-carboxamide?
The InChIKey is KPDZDDXUMMFCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-12-19-7-4-14(21-12)23-9-6-18(17(23)25)5-2-3-13(11-18)22-15(24)16-20-8-10-26-16/h4,7-8,10,13H,2-3,5-6,9,11H2,1H3,(H,22,24).
What are the key properties of N-[2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-1,3-thiazole-2-carboxamide?
N-[2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 76710747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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