3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

C14H18N4O3S — CID 121160380

IUPAC3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1nc(C)c(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)s1
InChIInChI=1S/C14H18N4O3S/c1-8-12(22-9(2)16-8)13(20)17-5-3-10(4-6-17)18-11(19)7-15-14(18)21/h10H,3-7H2,1-2H3,(H,15,21)
InChIKeyBLFAELKTVDJMAT-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.92
Rot. Bonds2

About 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 121160380) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID121160380
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1nc(C)c(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)s1
InChIInChI=1S/C14H18N4O3S/c1-8-12(22-9(2)16-8)13(20)17-5-3-10(4-6-17)18-11(19)7-15-14(18)21/h10H,3-7H2,1-2H3,(H,15,21)
InChIKeyBLFAELKTVDJMAT-UHFFFAOYSA-N
XLogP0.92
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]imidazolidine-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 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 121160380) is 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is Cc1nc(C)c(C(=O)N2CCC(N3C(=O)CNC3=O)CC2)s1.
What is the InChIKey of 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is BLFAELKTVDJMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-8-12(22-9(2)16-8)13(20)17-5-3-10(4-6-17)18-11(19)7-15-14(18)21/h10H,3-7H2,1-2H3,(H,15,21).
What are the key properties of 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 322.39 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121160380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).