N-[4-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C20H21N5O4S — CID 22830380

IUPACN-[4-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C20H21N5O4S/c26-15(24-25-17(28)20(23-19(25)29)9-5-2-6-10-20)11-14-12-30-18(21-14)22-16(27)13-7-3-1-4-8-13/h1,3-4,7-8,12H,2,5-6,9-11H2,(H,23,29)(H,24,26)(H,21,22,27)
InChIKeyQUECYGLAPRYEKQ-UHFFFAOYSA-N
MW427.49 g/mol
LogP2.22
Rot. Bonds5

About N-[4-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 22830380) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is N-[4-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID22830380
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC NameN-[4-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C20H21N5O4S/c26-15(24-25-17(28)20(23-19(25)29)9-5-2-6-10-20)11-14-12-30-18(21-14)22-16(27)13-7-3-1-4-8-13/h1,3-4,7-8,12H,2,5-6,9-11H2,(H,23,29)(H,24,26)(H,21,22,27)
InChIKeyQUECYGLAPRYEKQ-UHFFFAOYSA-N
XLogP2.22
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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N-[4-[2-(benzimidazol-1-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
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N-[4-[2-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
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CID 26841885
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CID 22830480
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1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 22830380) is N-[4-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is O=C(Cc1csc(NC(=O)c2ccccc2)n1)NN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of N-[4-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is QUECYGLAPRYEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c26-15(24-25-17(28)20(23-19(25)29)9-5-2-6-10-20)11-14-12-30-18(21-14)22-16(27)13-7-3-1-4-8-13/h1,3-4,7-8,12H,2,5-6,9-11H2,(H,23,29)(H,24,26)(H,21,22,27).
What are the key properties of N-[4-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 427.49 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 22830380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).