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

C17H24N4O3S — CID 17407968

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC(C)(C)c1csc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)n1
InChIInChI=1S/C17H24N4O3S/c1-16(2,3)11-10-25-14(18-11)19-12(22)9-21-13(23)17(20-15(21)24)7-5-4-6-8-17/h10H,4-9H2,1-3H3,(H,20,24)(H,18,19,22)
InChIKeyQSRRRBCHGLIHQU-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.63
Rot. Bonds3

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

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 17407968) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID17407968
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC(C)(C)c1csc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)n1
InChIInChI=1S/C17H24N4O3S/c1-16(2,3)11-10-25-14(18-11)19-12(22)9-21-13(23)17(20-15(21)24)7-5-4-6-8-17/h10H,4-9H2,1-3H3,(H,20,24)(H,18,19,22)
InChIKeyQSRRRBCHGLIHQU-UHFFFAOYSA-N
XLogP2.63
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.63
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 N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 17407968) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC(C)(C)c1csc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is QSRRRBCHGLIHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-16(2,3)11-10-25-14(18-11)19-12(22)9-21-13(23)17(20-15(21)24)7-5-4-6-8-17/h10H,4-9H2,1-3H3,(H,20,24)(H,18,19,22).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 364.47 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 17407968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).