1-(4-fluorophenyl)-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide

C17H19FN6OS — CID 55597205

IUPAC1-(4-fluorophenyl)-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C)s1
InChIInChI=1S/C17H19FN6OS/c1-3-4-5-6-14-20-22-17(26-14)19-16(25)15-11(2)24(23-21-15)13-9-7-12(18)8-10-13/h7-10H,3-6H2,1-2H3,(H,19,22,25)
InChIKeyHDWYJRRYBMRXDS-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.55
Rot. Bonds7

About 1-(4-fluorophenyl)-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide

1-(4-fluorophenyl)-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide (PubChem CID 55597205) has the molecular formula C17H19FN6OS and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
PubChem CID55597205
Molecular FormulaC17H19FN6OS
Molecular Weight374.45 g/mol
Exact Mass374.13
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C)s1
InChIInChI=1S/C17H19FN6OS/c1-3-4-5-6-14-20-22-17(26-14)19-16(25)15-11(2)24(23-21-15)13-9-7-12(18)8-10-13/h7-10H,3-6H2,1-2H3,(H,19,22,25)
InChIKeyHDWYJRRYBMRXDS-UHFFFAOYSA-N
XLogP3.55
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-fluorophenyl)-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide 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

1-(4-fluorophenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16581221
N-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 166156582
1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 6464147
1-(4-fluorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
CID 55630949
N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150259
N-(2-ethoxy-6-methylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 127046483
butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide
CID 169248406
3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 26209843
N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2141048
N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 43837208
2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 18198071
1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide
CID 55599112

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide (CID 55597205) is 1-(4-fluorophenyl)-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide is CCCCCc1nnc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C)s1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide?
The InChIKey is HDWYJRRYBMRXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6OS/c1-3-4-5-6-14-20-22-17(26-14)19-16(25)15-11(2)24(23-21-15)13-9-7-12(18)8-10-13/h7-10H,3-6H2,1-2H3,(H,19,22,25).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide is sourced from PubChem (CID 55597205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).