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

C20H16FN5OS2 — CID 56567849

IUPAC2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESO=C(CSc1n[nH]c(-c2ccccc2F)n1)NC(c1ccccc1)c1nccs1
InChIInChI=1S/C20H16FN5OS2/c21-15-9-5-4-8-14(15)18-24-20(26-25-18)29-12-16(27)23-17(19-22-10-11-28-19)13-6-2-1-3-7-13/h1-11,17H,12H2,(H,23,27)(H,24,25,26)
InChIKeyALWXCGCXCLMSQL-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.07
Rot. Bonds7

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

2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 56567849) has the molecular formula C20H16FN5OS2 and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
PubChem CID56567849
Molecular FormulaC20H16FN5OS2
Molecular Weight425.51 g/mol
Exact Mass425.08
IUPAC Name2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESO=C(CSc1n[nH]c(-c2ccccc2F)n1)NC(c1ccccc1)c1nccs1
InChIInChI=1S/C20H16FN5OS2/c21-15-9-5-4-8-14(15)18-24-20(26-25-18)29-12-16(27)23-17(19-22-10-11-28-19)13-6-2-1-3-7-13/h1-11,17H,12H2,(H,23,27)(H,24,25,26)
InChIKeyALWXCGCXCLMSQL-UHFFFAOYSA-N
XLogP4.07
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[phenyl(1,3-thiazol-2-yl)methyl]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-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (CID 56567849) is 2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is O=C(CSc1n[nH]c(-c2ccccc2F)n1)NC(c1ccccc1)c1nccs1.
What is the InChIKey of 2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is ALWXCGCXCLMSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5OS2/c21-15-9-5-4-8-14(15)18-24-20(26-25-18)29-12-16(27)23-17(19-22-10-11-28-19)13-6-2-1-3-7-13/h1-11,17H,12H2,(H,23,27)(H,24,25,26).
What are the key properties of 2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 425.51 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 56567849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).