N-cyclohexyl-2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide

C18H19FN4OS2 — CID 3223778

IUPACN-cyclohexyl-2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc2scc(-c3ccc(F)cc3)n12)NC1CCCCC1
InChIInChI=1S/C18H19FN4OS2/c19-13-8-6-12(7-9-13)15-10-25-17-21-22-18(23(15)17)26-11-16(24)20-14-4-2-1-3-5-14/h6-10,14H,1-5,11H2,(H,20,24)
InChIKeyBBWUIYMVRHQODL-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.14
Rot. Bonds5

About N-cyclohexyl-2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide

N-cyclohexyl-2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide (PubChem CID 3223778) has the molecular formula C18H19FN4OS2 and a molecular weight of 390.51 g/mol. Its IUPAC name is N-cyclohexyl-2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
PubChem CID3223778
Molecular FormulaC18H19FN4OS2
Molecular Weight390.51 g/mol
Exact Mass390.10
IUPAC NameN-cyclohexyl-2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc2scc(-c3ccc(F)cc3)n12)NC1CCCCC1
InChIInChI=1S/C18H19FN4OS2/c19-13-8-6-12(7-9-13)15-10-25-17-21-22-18(23(15)17)26-11-16(24)20-14-4-2-1-3-5-14/h6-10,14H,1-5,11H2,(H,20,24)
InChIKeyBBWUIYMVRHQODL-UHFFFAOYSA-N
XLogP4.14
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-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

Related Compounds

N-cyclopentyl-2-[[4-ethyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17381815
2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 649740
2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide
CID 3223790
2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide
CID 4677128
2-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide
CID 27093572
N-cycloheptyl-2-[[5-[1-(4-fluorophenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19640473
2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylacetamide
CID 7256924
N-cyclopentyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51365001
N-cyclohexyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51364986
N-cycloheptyl-2-[[5-[(4-fluorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17268325
N-(cyclohexylcarbamoyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2639765
N-cycloheptyl-2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7249797

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide (CID 3223778) is N-cyclohexyl-2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide is O=C(CSc1nnc2scc(-c3ccc(F)cc3)n12)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide?
The InChIKey is BBWUIYMVRHQODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS2/c19-13-8-6-12(7-9-13)15-10-25-17-21-22-18(23(15)17)26-11-16(24)20-14-4-2-1-3-5-14/h6-10,14H,1-5,11H2,(H,20,24).
What are the key properties of N-cyclohexyl-2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide?
N-cyclohexyl-2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide has a molecular weight of 390.51 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 3223778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).