N-[(4-fluorophenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide

C18H16FN3OS2 — CID 4571571

IUPACN-[(4-fluorophenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCc1cccc(-c2nsc(SCC(=O)NCc3ccc(F)cc3)n2)c1
InChIInChI=1S/C18H16FN3OS2/c1-12-3-2-4-14(9-12)17-21-18(25-22-17)24-11-16(23)20-10-13-5-7-15(19)8-6-13/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyOAJWQGHKCUHWKC-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.06
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide

N-[(4-fluorophenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (PubChem CID 4571571) has the molecular formula C18H16FN3OS2 and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
PubChem CID4571571
Molecular FormulaC18H16FN3OS2
Molecular Weight373.48 g/mol
Exact Mass373.07
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCc1cccc(-c2nsc(SCC(=O)NCc3ccc(F)cc3)n2)c1
InChIInChI=1S/C18H16FN3OS2/c1-12-3-2-4-14(9-12)17-21-18(25-22-17)24-11-16(23)20-10-13-5-7-15(19)8-6-13/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyOAJWQGHKCUHWKC-UHFFFAOYSA-N
XLogP4.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide 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 N-[(4-fluorophenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (CID 4571571) is N-[(4-fluorophenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is Cc1cccc(-c2nsc(SCC(=O)NCc3ccc(F)cc3)n2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The InChIKey is OAJWQGHKCUHWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS2/c1-12-3-2-4-14(9-12)17-21-18(25-22-17)24-11-16(23)20-10-13-5-7-15(19)8-6-13/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide has a molecular weight of 373.48 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 4571571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).