N-(4-fluoro-2-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C11H10FN3OS2 — CID 47276142

IUPACN-(4-fluoro-2-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCc1cc(F)ccc1NC(=O)CSc1nncs1
InChIInChI=1S/C11H10FN3OS2/c1-7-4-8(12)2-3-9(7)14-10(16)5-17-11-15-13-6-18-11/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeyXLZJJGADSLWMBV-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.72
Rot. Bonds4

About N-(4-fluoro-2-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-(4-fluoro-2-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 47276142) has the molecular formula C11H10FN3OS2 and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID47276142
Molecular FormulaC11H10FN3OS2
Molecular Weight283.35 g/mol
Exact Mass283.02
IUPAC NameN-(4-fluoro-2-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCc1cc(F)ccc1NC(=O)CSc1nncs1
InChIInChI=1S/C11H10FN3OS2/c1-7-4-8(12)2-3-9(7)14-10(16)5-17-11-15-13-6-18-11/h2-4,6H,5H2,1H3,(H,14,16)
InChIKeyXLZJJGADSLWMBV-UHFFFAOYSA-N
XLogP2.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-fluoro-2-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)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

N-naphthalen-1-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532337
N-(3-chloro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 4799399
1-(2-Methyl-2,3-dihydroindol-1-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 4814798
N-(4-fluorophenyl)-2-[methyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide
CID 8303052
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 708016
2-[(5-Amino-1,3,4-thiadiazol-2-yl)thio]-N-(4-methylphenyl)acetamide
CID 685006
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 673891
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(3-methylphenyl)acetamide
CID 711117
N-(2,4-dimethylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 844130
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 24686841
N-(4-methylphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 852230
N-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 844138

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 47276142) is N-(4-fluoro-2-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is Cc1cc(F)ccc1NC(=O)CSc1nncs1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is XLZJJGADSLWMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS2/c1-7-4-8(12)2-3-9(7)14-10(16)5-17-11-15-13-6-18-11/h2-4,6H,5H2,1H3,(H,14,16).
What are the key properties of N-(4-fluoro-2-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-(4-fluoro-2-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 283.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 47276142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).