8-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C14H19N3O2S — CID 47073030

IUPAC8-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ncc(CN2C(=O)NC3(CCC(C)CC3)C2=O)s1
InChIInChI=1S/C14H19N3O2S/c1-9-3-5-14(6-4-9)12(18)17(13(19)16-14)8-11-7-15-10(2)20-11/h7,9H,3-6,8H2,1-2H3,(H,16,19)
InChIKeyHEUXXZBILGHKIH-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.45
Rot. Bonds2

About 8-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

8-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 47073030) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 8-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID47073030
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name8-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ncc(CN2C(=O)NC3(CCC(C)CC3)C2=O)s1
InChIInChI=1S/C14H19N3O2S/c1-9-3-5-14(6-4-9)12(18)17(13(19)16-14)8-11-7-15-10(2)20-11/h7,9H,3-6,8H2,1-2H3,(H,16,19)
InChIKeyHEUXXZBILGHKIH-UHFFFAOYSA-N
XLogP2.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 47073030) is 8-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1ncc(CN2C(=O)NC3(CCC(C)CC3)C2=O)s1.
What is the InChIKey of 8-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is HEUXXZBILGHKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-9-3-5-14(6-4-9)12(18)17(13(19)16-14)8-11-7-15-10(2)20-11/h7,9H,3-6,8H2,1-2H3,(H,16,19).
What are the key properties of 8-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 293.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 47073030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).