2-[[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide

C16H18FN5O2S2 — CID 30865152

IUPAC2-[[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide
SMILESCNC(=O)CSc1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)s1
InChIInChI=1S/C16H18FN5O2S2/c1-18-13(23)10-25-16-20-19-15(26-16)22-7-5-21(6-8-22)14(24)11-3-2-4-12(17)9-11/h2-4,9H,5-8,10H2,1H3,(H,18,23)
InChIKeyLFBIZUNTCMNMHV-UHFFFAOYSA-N
MW395.49 g/mol
LogP1.48
Rot. Bonds5

About 2-[[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide

2-[[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide (PubChem CID 30865152) has the molecular formula C16H18FN5O2S2 and a molecular weight of 395.49 g/mol. Its IUPAC name is 2-[[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide
PubChem CID30865152
Molecular FormulaC16H18FN5O2S2
Molecular Weight395.49 g/mol
Exact Mass395.09
IUPAC Name2-[[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide
SMILESCNC(=O)CSc1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)s1
InChIInChI=1S/C16H18FN5O2S2/c1-18-13(23)10-25-16-20-19-15(26-16)22-7-5-21(6-8-22)14(24)11-3-2-4-12(17)9-11/h2-4,9H,5-8,10H2,1H3,(H,18,23)
InChIKeyLFBIZUNTCMNMHV-UHFFFAOYSA-N
XLogP1.48
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide 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

[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 7539120
(3-fluorophenyl)-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 8702667
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119710242
(3-chlorophenyl)-[4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methanone
CID 133466440
[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 7539494
N-(2,4-difluorophenyl)-2-[[5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 30863138
2-[[5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 30865086
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
2-[[5-[4-(furan-2-carbonyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
CID 30865349
(3-fluorophenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]methanone
CID 53203474
(3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078904
(3-fluorophenyl)-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]methanone
CID 3896107

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide?
The IUPAC name of 2-[[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide (CID 30865152) is 2-[[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide.
What is the SMILES notation for 2-[[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide?
The canonical SMILES for 2-[[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide is CNC(=O)CSc1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)s1.
What is the InChIKey of 2-[[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide?
The InChIKey is LFBIZUNTCMNMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O2S2/c1-18-13(23)10-25-16-20-19-15(26-16)22-7-5-21(6-8-22)14(24)11-3-2-4-12(17)9-11/h2-4,9H,5-8,10H2,1H3,(H,18,23).
What are the key properties of 2-[[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide?
2-[[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide has a molecular weight of 395.49 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide is sourced from PubChem (CID 30865152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).