2-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C15H13FN4OS2 — CID 3593088

IUPAC2-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1nccs1
InChIInChI=1S/C15H13FN4OS2/c1-20-12(10-2-4-11(16)5-3-10)8-18-15(20)23-9-13(21)19-14-17-6-7-22-14/h2-8H,9H2,1H3,(H,17,19,21)
InChIKeyQIPLWJNEMJBQNU-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.41
Rot. Bonds5

About 2-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3593088) has the molecular formula C15H13FN4OS2 and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3593088
Molecular FormulaC15H13FN4OS2
Molecular Weight348.43 g/mol
Exact Mass348.05
IUPAC Name2-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1nccs1
InChIInChI=1S/C15H13FN4OS2/c1-20-12(10-2-4-11(16)5-3-10)8-18-15(20)23-9-13(21)19-14-17-6-7-22-14/h2-8H,9H2,1H3,(H,17,19,21)
InChIKeyQIPLWJNEMJBQNU-UHFFFAOYSA-N
XLogP3.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}

Analyze 2-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 7151018
2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 2197616
2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 20931500
2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 35961712
2-[[4-(4-fluorophenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 16806653
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 4033040
N-(3-cyanothiophen-2-yl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 40671159
2-[[5-(aminomethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 55205243
5-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-oxazole-2-carboxamide
CID 16950267
2-[[5-(4-fluorophenyl)-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 26093901
3-[5-(4-fluorophenyl)furan-2-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 17015017
2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 18562750

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 3593088) is 2-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is Cn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1nccs1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is QIPLWJNEMJBQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4OS2/c1-20-12(10-2-4-11(16)5-3-10)8-18-15(20)23-9-13(21)19-14-17-6-7-22-14/h2-8H,9H2,1H3,(H,17,19,21).
What are the key properties of 2-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 348.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3593088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).