1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4,5-trione

C15H19N3O3S — CID 127612282

IUPAC1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4,5-trione
SMILESCc1nc(CN2C(=O)C(=O)N(C3CCCCC3)C2=O)sc1C
InChIInChI=1S/C15H19N3O3S/c1-9-10(2)22-12(16-9)8-17-13(19)14(20)18(15(17)21)11-6-4-3-5-7-11/h11H,3-8H2,1-2H3
InChIKeyLQRJUHDKNWTNBR-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.38
Rot. Bonds3

About 1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4,5-trione

1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4,5-trione (PubChem CID 127612282) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4,5-trione
PubChem CID127612282
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4,5-trione
SMILESCc1nc(CN2C(=O)C(=O)N(C3CCCCC3)C2=O)sc1C
InChIInChI=1S/C15H19N3O3S/c1-9-10(2)22-12(16-9)8-17-13(19)14(20)18(15(17)21)11-6-4-3-5-7-11/h11H,3-8H2,1-2H3
InChIKeyLQRJUHDKNWTNBR-UHFFFAOYSA-N
XLogP2.38
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4,5-trione 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 1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4,5-trione (CID 127612282) is 1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4,5-trione is Cc1nc(CN2C(=O)C(=O)N(C3CCCCC3)C2=O)sc1C.
What is the InChIKey of 1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is LQRJUHDKNWTNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-9-10(2)22-12(16-9)8-17-13(19)14(20)18(15(17)21)11-6-4-3-5-7-11/h11H,3-8H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4,5-trione?
1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 321.40 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 127612282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).