N-[4-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

C21H24N4O3S — CID 16610630

IUPACN-[4-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(CN2C(=O)NC3(CCCCCC3)C2=O)cs1
InChIInChI=1S/C21H24N4O3S/c1-15(26)25(17-9-5-4-6-10-17)20-22-16(14-29-20)13-24-18(27)21(23-19(24)28)11-7-2-3-8-12-21/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3,(H,23,28)
InChIKeyJRIWWFRCZZVNPN-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.97
Rot. Bonds4

About N-[4-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

N-[4-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 16610630) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[4-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[4-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID16610630
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-[4-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(CN2C(=O)NC3(CCCCCC3)C2=O)cs1
InChIInChI=1S/C21H24N4O3S/c1-15(26)25(17-9-5-4-6-10-17)20-22-16(14-29-20)13-24-18(27)21(23-19(24)28)11-7-2-3-8-12-21/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3,(H,23,28)
InChIKeyJRIWWFRCZZVNPN-UHFFFAOYSA-N
XLogP3.97
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.97
H-Bond Donors ≤ 51
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-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of N-[4-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (CID 16610630) is N-[4-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for N-[4-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for N-[4-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)c1nc(CN2C(=O)NC3(CCCCCC3)C2=O)cs1.
What is the InChIKey of N-[4-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is JRIWWFRCZZVNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-15(26)25(17-9-5-4-6-10-17)20-22-16(14-29-20)13-24-18(27)21(23-19(24)28)11-7-2-3-8-12-21/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3,(H,23,28).
What are the key properties of N-[4-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
N-[4-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 412.52 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 16610630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).