3-[2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]imidazolidine-2,4-dione

C15H15N3O2S2 — CID 46575595

IUPAC3-[2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCSCc1csc(-c2ccccc2)n1
InChIInChI=1S/C15H15N3O2S2/c19-13-8-16-15(20)18(13)6-7-21-9-12-10-22-14(17-12)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,16,20)
InChIKeyQPFVMNOSZVABSI-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.60
Rot. Bonds6

About 3-[2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]imidazolidine-2,4-dione

3-[2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]imidazolidine-2,4-dione (PubChem CID 46575595) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-[2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]imidazolidine-2,4-dione
PubChem CID46575595
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC Name3-[2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCSCc1csc(-c2ccccc2)n1
InChIInChI=1S/C15H15N3O2S2/c19-13-8-16-15(20)18(13)6-7-21-9-12-10-22-14(17-12)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,16,20)
InChIKeyQPFVMNOSZVABSI-UHFFFAOYSA-N
XLogP2.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591198
3-(4-Phenyl-1,3-thiazol-2-yl)-2-thioxo-4-imidazolidinone
CID 899465
N-benzyl-N'-(4-phenyl-1,3-thiazol-2-yl)oxamide
CID 1830730
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4175212
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 3244200
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 92131180
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 118514488
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]azepane-1-carboxamide
CID 118514531
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 118524336
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 155754719
N-(benzylcarbamoyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2125060
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2464991

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]imidazolidine-2,4-dione (CID 46575595) is 3-[2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCSCc1csc(-c2ccccc2)n1.
What is the InChIKey of 3-[2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]imidazolidine-2,4-dione?
The InChIKey is QPFVMNOSZVABSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c19-13-8-16-15(20)18(13)6-7-21-9-12-10-22-14(17-12)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,16,20).
What are the key properties of 3-[2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]imidazolidine-2,4-dione?
3-[2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]imidazolidine-2,4-dione has a molecular weight of 333.44 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46575595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).