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

C17H13ClFN3O2S2 — CID 2002726

IUPAC2-(4-chlorophenyl)sulfanyl-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1nnc(COc2ccc(F)cc2)s1
InChIInChI=1S/C17H13ClFN3O2S2/c18-11-1-7-14(8-2-11)25-10-15(23)20-17-22-21-16(26-17)9-24-13-5-3-12(19)4-6-13/h1-8H,9-10H2,(H,20,22,23)
InChIKeyBRURRHVPYFOMAV-UHFFFAOYSA-N
MW409.90 g/mol
LogP4.64
Rot. Bonds7

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

2-(4-chlorophenyl)sulfanyl-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 2002726) has the molecular formula C17H13ClFN3O2S2 and a molecular weight of 409.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID2002726
Molecular FormulaC17H13ClFN3O2S2
Molecular Weight409.90 g/mol
Exact Mass409.01
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1nnc(COc2ccc(F)cc2)s1
InChIInChI=1S/C17H13ClFN3O2S2/c18-11-1-7-14(8-2-11)25-10-15(23)20-17-22-21-16(26-17)9-24-13-5-3-12(19)4-6-13/h1-8H,9-10H2,(H,20,22,23)
InChIKeyBRURRHVPYFOMAV-UHFFFAOYSA-N
XLogP4.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenyl)sulfanyl-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 2002726) is 2-(4-chlorophenyl)sulfanyl-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide is O=C(CSc1ccc(Cl)cc1)Nc1nnc(COc2ccc(F)cc2)s1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is BRURRHVPYFOMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O2S2/c18-11-1-7-14(8-2-11)25-10-15(23)20-17-22-21-16(26-17)9-24-13-5-3-12(19)4-6-13/h1-8H,9-10H2,(H,20,22,23).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 409.90 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 2002726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).