3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

C15H20N4O3S — CID 26466700

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)s1
InChIInChI=1S/C15H20N4O3S/c1-10-9-16-13(23-10)17-11(20)5-8-19-12(21)15(18-14(19)22)6-3-2-4-7-15/h9H,2-8H2,1H3,(H,18,22)(H,16,17,20)
InChIKeyIHNDEEZDSCFZGR-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.03
Rot. Bonds4

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

3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 26466700) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID26466700
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)s1
InChIInChI=1S/C15H20N4O3S/c1-10-9-16-13(23-10)17-11(20)5-8-19-12(21)15(18-14(19)22)6-3-2-4-7-15/h9H,2-8H2,1H3,(H,18,22)(H,16,17,20)
InChIKeyIHNDEEZDSCFZGR-UHFFFAOYSA-N
XLogP2.03
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.03
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 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 26466700) is 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is Cc1cnc(NC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)s1.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is IHNDEEZDSCFZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-10-9-16-13(23-10)17-11(20)5-8-19-12(21)15(18-14(19)22)6-3-2-4-7-15/h9H,2-8H2,1H3,(H,18,22)(H,16,17,20).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 336.42 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 26466700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).