phenacyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate

C12H11N3O3S2 — CID 2474469

IUPACphenacyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
SMILESNc1nnc(SCC(=O)OCC(=O)c2ccccc2)s1
InChIInChI=1S/C12H11N3O3S2/c13-11-14-15-12(20-11)19-7-10(17)18-6-9(16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,14)
InChIKeyWQZQOVPCCJSOTD-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.64
Rot. Bonds6

About phenacyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate

phenacyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate (PubChem CID 2474469) has the molecular formula C12H11N3O3S2 and a molecular weight of 309.37 g/mol. Its IUPAC name is phenacyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate.

Molecular Properties

Compound Namephenacyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
PubChem CID2474469
Molecular FormulaC12H11N3O3S2
Molecular Weight309.37 g/mol
Exact Mass309.02
IUPAC Namephenacyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
SMILESNc1nnc(SCC(=O)OCC(=O)c2ccccc2)s1
InChIInChI=1S/C12H11N3O3S2/c13-11-14-15-12(20-11)19-7-10(17)18-6-9(16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,14)
InChIKeyWQZQOVPCCJSOTD-UHFFFAOYSA-N
XLogP1.64
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze phenacyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate 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

Ethyl 4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate
CID 977678
4-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylbutan-1-one
CID 2441871
[2-(2-Bromophenyl)-2-oxoethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 2474141
2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-1-phenylethanone
CID 673933
methyl (E)-2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]-3-methoxyprop-2-enoate
CID 16128211
Ethyl [(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl](phenyl)acetate
CID 24321629
2-(4-Fluorophenyl)-2-oxoethyl [(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 16480042
[2-(2-Fluorophenyl)-2-oxoethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 23962255
Ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylpropanoate
CID 17014953
2-((5-Amino-1,3,4-thiadiazol-2-yl)thio)-2-phenylacetic acid
CID 24320999
4-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoate
CID 7065834
ethyl (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylpropanoate
CID 7245319

Frequently Asked Questions

What is the IUPAC name of phenacyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The IUPAC name of phenacyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate (CID 2474469) is phenacyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate.
What is the SMILES notation for phenacyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The canonical SMILES for phenacyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate is Nc1nnc(SCC(=O)OCC(=O)c2ccccc2)s1.
What is the InChIKey of phenacyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The InChIKey is WQZQOVPCCJSOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S2/c13-11-14-15-12(20-11)19-7-10(17)18-6-9(16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,14).
What are the key properties of phenacyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
phenacyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate has a molecular weight of 309.37 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate is sourced from PubChem (CID 2474469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).