7-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C12H14N4O4S — CID 78996483

IUPAC7-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCc1csc(=O)n1CC(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C12H14N4O4S/c1-7-5-21-11(20)16(7)4-8(17)15-3-2-12(6-15)9(18)13-10(19)14-12/h5H,2-4,6H2,1H3,(H2,13,14,18,19)
InChIKeyUCSPCJUOUOZORF-UHFFFAOYSA-N
MW310.34 g/mol
LogP-0.97
Rot. Bonds2

About 7-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione

7-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 78996483) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is 7-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID78996483
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Name7-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCc1csc(=O)n1CC(=O)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C12H14N4O4S/c1-7-5-21-11(20)16(7)4-8(17)15-3-2-12(6-15)9(18)13-10(19)14-12/h5H,2-4,6H2,1H3,(H2,13,14,18,19)
InChIKeyUCSPCJUOUOZORF-UHFFFAOYSA-N
XLogP-0.97
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-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 7-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 78996483) is 7-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione is Cc1csc(=O)n1CC(=O)N1CCC2(C1)NC(=O)NC2=O.
What is the InChIKey of 7-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is UCSPCJUOUOZORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-7-5-21-11(20)16(7)4-8(17)15-3-2-12(6-15)9(18)13-10(19)14-12/h5H,2-4,6H2,1H3,(H2,13,14,18,19).
What are the key properties of 7-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 310.34 g/mol, XLogP of -0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 78996483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).