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

C16H22N4O3S — CID 167850869

IUPACN-(5-tert-butyl-1,3-thiazol-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
SMILESCC(C)(C)c1cnc(NC(=O)C2CCC3(CC2)NC(=O)NC3=O)s1
InChIInChI=1S/C16H22N4O3S/c1-15(2,3)10-8-17-14(24-10)18-11(21)9-4-6-16(7-5-9)12(22)19-13(23)20-16/h8-9H,4-7H2,1-3H3,(H,17,18,21)(H2,19,20,22,23)
InChIKeyKEBLTYNWFNGGLM-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.15
Rot. Bonds2

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

N-(5-tert-butyl-1,3-thiazol-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 167850869) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3-thiazol-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3-thiazol-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
PubChem CID167850869
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN-(5-tert-butyl-1,3-thiazol-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
SMILESCC(C)(C)c1cnc(NC(=O)C2CCC3(CC2)NC(=O)NC3=O)s1
InChIInChI=1S/C16H22N4O3S/c1-15(2,3)10-8-17-14(24-10)18-11(21)9-4-6-16(7-5-9)12(22)19-13(23)20-16/h8-9H,4-7H2,1-3H3,(H,17,18,21)(H2,19,20,22,23)
InChIKeyKEBLTYNWFNGGLM-UHFFFAOYSA-N
XLogP2.15
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.15
H-Bond Donors ≤ 53
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-(5-tert-butyl-1,3-thiazol-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,3-thiazol-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide (CID 167850869) is N-(5-tert-butyl-1,3-thiazol-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,3-thiazol-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,3-thiazol-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide is CC(C)(C)c1cnc(NC(=O)C2CCC3(CC2)NC(=O)NC3=O)s1.
What is the InChIKey of N-(5-tert-butyl-1,3-thiazol-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is KEBLTYNWFNGGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-15(2,3)10-8-17-14(24-10)18-11(21)9-4-6-16(7-5-9)12(22)19-13(23)20-16/h8-9H,4-7H2,1-3H3,(H,17,18,21)(H2,19,20,22,23).
What are the key properties of N-(5-tert-butyl-1,3-thiazol-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide?
N-(5-tert-butyl-1,3-thiazol-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3-thiazol-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 167850869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).