5-benzyl-5-piperidin-4-yl-3-(1,3-thiazol-2-ylmethyl)imidazolidine-2,4-dione;hydrochloride

C19H23ClN4O2S — CID 154887103

IUPAC5-benzyl-5-piperidin-4-yl-3-(1,3-thiazol-2-ylmethyl)imidazolidine-2,4-dione;hydrochloride
SMILESCl.O=C1NC(Cc2ccccc2)(C2CCNCC2)C(=O)N1Cc1nccs1
InChIInChI=1S/C19H22N4O2S.ClH/c24-17-19(15-6-8-20-9-7-15,12-14-4-2-1-3-5-14)22-18(25)23(17)13-16-21-10-11-26-16;/h1-5,10-11,15,20H,6-9,12-13H2,(H,22,25);1H
InChIKeyCISUZUNIFANTBN-UHFFFAOYSA-N
MW406.94 g/mol
LogP2.60
Rot. Bonds5

About 5-benzyl-5-piperidin-4-yl-3-(1,3-thiazol-2-ylmethyl)imidazolidine-2,4-dione;hydrochloride

5-benzyl-5-piperidin-4-yl-3-(1,3-thiazol-2-ylmethyl)imidazolidine-2,4-dione;hydrochloride (PubChem CID 154887103) has the molecular formula C19H23ClN4O2S and a molecular weight of 406.94 g/mol. Its IUPAC name is 5-benzyl-5-piperidin-4-yl-3-(1,3-thiazol-2-ylmethyl)imidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-benzyl-5-piperidin-4-yl-3-(1,3-thiazol-2-ylmethyl)imidazolidine-2,4-dione;hydrochloride
PubChem CID154887103
Molecular FormulaC19H23ClN4O2S
Molecular Weight406.94 g/mol
Exact Mass406.12
IUPAC Name5-benzyl-5-piperidin-4-yl-3-(1,3-thiazol-2-ylmethyl)imidazolidine-2,4-dione;hydrochloride
SMILESCl.O=C1NC(Cc2ccccc2)(C2CCNCC2)C(=O)N1Cc1nccs1
InChIInChI=1S/C19H22N4O2S.ClH/c24-17-19(15-6-8-20-9-7-15,12-14-4-2-1-3-5-14)22-18(25)23(17)13-16-21-10-11-26-16;/h1-5,10-11,15,20H,6-9,12-13H2,(H,22,25);1H
InChIKeyCISUZUNIFANTBN-UHFFFAOYSA-N
XLogP2.60
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-benzyl-5-piperidin-4-yl-3-(1,3-thiazol-2-ylmethyl)imidazolidine-2,4-dione;hydrochloride 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 5-benzyl-5-piperidin-4-yl-3-(1,3-thiazol-2-ylmethyl)imidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 5-benzyl-5-piperidin-4-yl-3-(1,3-thiazol-2-ylmethyl)imidazolidine-2,4-dione;hydrochloride (CID 154887103) is 5-benzyl-5-piperidin-4-yl-3-(1,3-thiazol-2-ylmethyl)imidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-benzyl-5-piperidin-4-yl-3-(1,3-thiazol-2-ylmethyl)imidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-benzyl-5-piperidin-4-yl-3-(1,3-thiazol-2-ylmethyl)imidazolidine-2,4-dione;hydrochloride is Cl.O=C1NC(Cc2ccccc2)(C2CCNCC2)C(=O)N1Cc1nccs1.
What is the InChIKey of 5-benzyl-5-piperidin-4-yl-3-(1,3-thiazol-2-ylmethyl)imidazolidine-2,4-dione;hydrochloride?
The InChIKey is CISUZUNIFANTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S.ClH/c24-17-19(15-6-8-20-9-7-15,12-14-4-2-1-3-5-14)22-18(25)23(17)13-16-21-10-11-26-16;/h1-5,10-11,15,20H,6-9,12-13H2,(H,22,25);1H.
What are the key properties of 5-benzyl-5-piperidin-4-yl-3-(1,3-thiazol-2-ylmethyl)imidazolidine-2,4-dione;hydrochloride?
5-benzyl-5-piperidin-4-yl-3-(1,3-thiazol-2-ylmethyl)imidazolidine-2,4-dione;hydrochloride has a molecular weight of 406.94 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-piperidin-4-yl-3-(1,3-thiazol-2-ylmethyl)imidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 154887103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).