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

C17H18FN7O2S2 — CID 3164774

IUPAC2-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(4-fluorophenyl)acetamide
SMILESCCn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)Nc1nnc(C)s1
InChIInChI=1S/C17H18FN7O2S2/c1-3-25-13(8-14(26)19-12-6-4-11(18)5-7-12)22-24-17(25)28-9-15(27)20-16-23-21-10(2)29-16/h4-7H,3,8-9H2,1-2H3,(H,19,26)(H,20,23,27)
InChIKeyHGQDPCPTHBOGSV-UHFFFAOYSA-N
MW435.51 g/mol
LogP2.51
Rot. Bonds8

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

2-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 3164774) has the molecular formula C17H18FN7O2S2 and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(4-fluorophenyl)acetamide
PubChem CID3164774
Molecular FormulaC17H18FN7O2S2
Molecular Weight435.51 g/mol
Exact Mass435.09
IUPAC Name2-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(4-fluorophenyl)acetamide
SMILESCCn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)Nc1nnc(C)s1
InChIInChI=1S/C17H18FN7O2S2/c1-3-25-13(8-14(26)19-12-6-4-11(18)5-7-12)22-24-17(25)28-9-15(27)20-16-23-21-10(2)29-16/h4-7H,3,8-9H2,1-2H3,(H,19,26)(H,20,23,27)
InChIKeyHGQDPCPTHBOGSV-UHFFFAOYSA-N
XLogP2.51
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(4-fluorophenyl)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-({4-ethyl-5-[(ethylthio)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-(4-fluorophenyl)acetamide
CID 2231699
2-((1-(4-fluorophenyl)-1H-imidazol-2-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 4170205
2-[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
CID 857023
N-(3-Acetylamino-phenyl)-2-(5-isopropyl-4-propyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 648503
2-{4-Cyclohexyl-5-[(4-fluoro-phenylamino)-methyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 649617
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-(5-methyl-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1131991
N-{2-[4-allyl-5-({2-[(3-fluorophenyl)amino]-2-oxoethyl}thio)-4H-1,2,4-triazol-3-yl]ethyl}-2-thiophenecarboxamide
CID 2231671
2-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 2586514
N-(2-fluorophenyl)-2-(4-methyl-5-{[2-(4-morpholinyl)-2-oxoethyl]thio}-4H-1,2,4-triazol-3-yl)acetamide
CID 2994176
2-{4-Ethyl-5-[(4-methyl-thiazol-2-ylcarbamoyl)-methylsulfanyl]-4H-[1,2,4]triazol-3-yl}-N-p-tolyl-acetamide
CID 3157656
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[4-(4-fluorophenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3244487
2-[5-({2-[(2-bromophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-N-(2-fluorophenyl)acetamide
CID 6495469

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(4-fluorophenyl)acetamide (CID 3164774) is 2-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(4-fluorophenyl)acetamide is CCn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)Nc1nnc(C)s1.
What is the InChIKey of 2-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is HGQDPCPTHBOGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN7O2S2/c1-3-25-13(8-14(26)19-12-6-4-11(18)5-7-12)22-24-17(25)28-9-15(27)20-16-23-21-10(2)29-16/h4-7H,3,8-9H2,1-2H3,(H,19,26)(H,20,23,27).
What are the key properties of 2-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(4-fluorophenyl)acetamide?
2-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 435.51 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 3164774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).