N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide

C17H24N4O3S — CID 49319151

IUPACN-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)s1
InChIInChI=1S/C17H24N4O3S/c1-3-12-19-11(2)13(25-12)14(22)18-9-6-10-21-15(23)17(20-16(21)24)7-4-5-8-17/h3-10H2,1-2H3,(H,18,22)(H,20,24)
InChIKeyIPRWGRGVCRNJGI-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.00
Rot. Bonds6

About N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide

N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 49319151) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID49319151
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)s1
InChIInChI=1S/C17H24N4O3S/c1-3-12-19-11(2)13(25-12)14(22)18-9-6-10-21-15(23)17(20-16(21)24)7-4-5-8-17/h3-10H2,1-2H3,(H,18,22)(H,20,24)
InChIKeyIPRWGRGVCRNJGI-UHFFFAOYSA-N
XLogP2.00
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide (CID 49319151) is N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)s1.
What is the InChIKey of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is IPRWGRGVCRNJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-3-12-19-11(2)13(25-12)14(22)18-9-6-10-21-15(23)17(20-16(21)24)7-4-5-8-17/h3-10H2,1-2H3,(H,18,22)(H,20,24).
What are the key properties of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49319151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).