2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C18H26N4O3S — CID 51191900

IUPAC2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)s1
InChIInChI=1S/C18H26N4O3S/c1-11-9-19-15(26-11)20-13(23)10-22-14(24)18(21-16(22)25)7-5-12(6-8-18)17(2,3)4/h9,12H,5-8,10H2,1-4H3,(H,21,25)(H,19,20,23)
InChIKeyZXNSGFFYTAPPOD-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.92
Rot. Bonds3

About 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 51191900) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID51191900
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)s1
InChIInChI=1S/C18H26N4O3S/c1-11-9-19-15(26-11)20-13(23)10-22-14(24)18(21-16(22)25)7-5-12(6-8-18)17(2,3)4/h9,12H,5-8,10H2,1-4H3,(H,21,25)(H,19,20,23)
InChIKeyZXNSGFFYTAPPOD-UHFFFAOYSA-N
XLogP2.92
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 51191900) is 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)s1.
What is the InChIKey of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ZXNSGFFYTAPPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-11-9-19-15(26-11)20-13(23)10-22-14(24)18(21-16(22)25)7-5-12(6-8-18)17(2,3)4/h9,12H,5-8,10H2,1-4H3,(H,21,25)(H,19,20,23).
What are the key properties of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 378.50 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 51191900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).