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

C19H14F2N6OS2 — CID 121315785

IUPAC2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCn1c(SCC(=O)Nc2nnc(-c3cccc(F)c3)s2)nnc1-c1ccc(F)cc1
InChIInChI=1S/C19H14F2N6OS2/c1-27-16(11-5-7-13(20)8-6-11)23-26-19(27)29-10-15(28)22-18-25-24-17(30-18)12-3-2-4-14(21)9-12/h2-9H,10H2,1H3,(H,22,25,28)
InChIKeyWBEHQHBHZXWWFO-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.01
Rot. Bonds6

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

2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 121315785) has the molecular formula C19H14F2N6OS2 and a molecular weight of 444.49 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID121315785
Molecular FormulaC19H14F2N6OS2
Molecular Weight444.49 g/mol
Exact Mass444.06
IUPAC Name2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCn1c(SCC(=O)Nc2nnc(-c3cccc(F)c3)s2)nnc1-c1ccc(F)cc1
InChIInChI=1S/C19H14F2N6OS2/c1-27-16(11-5-7-13(20)8-6-11)23-26-19(27)29-10-15(28)22-18-25-24-17(30-18)12-3-2-4-14(21)9-12/h2-9H,10H2,1H3,(H,22,25,28)
InChIKeyWBEHQHBHZXWWFO-UHFFFAOYSA-N
XLogP4.01
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-(3-fluorophenyl)-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

Related Compounds

2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 121315655
2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 17019321
N-(2,6-difluorophenyl)-2-[[5-(3-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17019621
N-(2-fluorophenyl)-2-[[5-(3-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6500604
N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 121315783
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 1262578
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3653279
2-[[4-ethyl-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6500614
N-(3-fluorophenyl)-2-[[4-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 27377391
N-(2-chlorophenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6500533
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6498086
N-(4-fluorophenyl)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6500680

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 121315785) is 2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide is Cn1c(SCC(=O)Nc2nnc(-c3cccc(F)c3)s2)nnc1-c1ccc(F)cc1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is WBEHQHBHZXWWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6OS2/c1-27-16(11-5-7-13(20)8-6-11)23-26-19(27)29-10-15(28)22-18-25-24-17(30-18)12-3-2-4-14(21)9-12/h2-9H,10H2,1H3,(H,22,25,28).
What are the key properties of 2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 444.49 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 121315785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).