1-(5-amino-2-phenyl-2H-1,3,4-thiadiazol-3-yl)ethanone

C10H11N3OS — CID 2841170

IUPAC1-(5-amino-2-phenyl-2H-1,3,4-thiadiazol-3-yl)ethanone
SMILESCC(=O)N1N=C(N)SC1c1ccccc1
InChIInChI=1S/C10H11N3OS/c1-7(14)13-9(15-10(11)12-13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H2,11,12)
InChIKeyFSUOZVHASSEDMX-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.51
Rot. Bonds1

About 1-(5-amino-2-phenyl-2H-1,3,4-thiadiazol-3-yl)ethanone

1-(5-amino-2-phenyl-2H-1,3,4-thiadiazol-3-yl)ethanone (PubChem CID 2841170) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 1-(5-amino-2-phenyl-2H-1,3,4-thiadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-2-phenyl-2H-1,3,4-thiadiazol-3-yl)ethanone
PubChem CID2841170
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name1-(5-amino-2-phenyl-2H-1,3,4-thiadiazol-3-yl)ethanone
SMILESCC(=O)N1N=C(N)SC1c1ccccc1
InChIInChI=1S/C10H11N3OS/c1-7(14)13-9(15-10(11)12-13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H2,11,12)
InChIKeyFSUOZVHASSEDMX-UHFFFAOYSA-N
XLogP1.51
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-amino-2-phenyl-2H-1,3,4-thiadiazol-3-yl)ethanone 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-benzyl-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 2859342
K-858
CID 2930014
N-[(5S)-4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl]acetamide
CID 686905
N-benzyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2085020
N-[4-acetyl-5-(4-bromophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
CID 2881195
3-Benzyl-2-imino-1,3-thiazolidin-4-one
CID 1374508
2-Phenyl-1,3-thiazolidin-4-one
CID 290165
N-[4-acetyl-5-(4-fluorophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
CID 2881296
N-[4-acetyl-5-(4-methylphenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
CID 2872297
ST093069
CID 2729933
N-[4-Acetyl-5-(4-isopropyl-phenyl)-4,5-dihydro-[1,3,4]thiadiazol-2-yl]-acetamide
CID 3130971
N-[4-acetyl-5-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
CID 3149847

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-phenyl-2H-1,3,4-thiadiazol-3-yl)ethanone?
The IUPAC name of 1-(5-amino-2-phenyl-2H-1,3,4-thiadiazol-3-yl)ethanone (CID 2841170) is 1-(5-amino-2-phenyl-2H-1,3,4-thiadiazol-3-yl)ethanone.
What is the SMILES notation for 1-(5-amino-2-phenyl-2H-1,3,4-thiadiazol-3-yl)ethanone?
The canonical SMILES for 1-(5-amino-2-phenyl-2H-1,3,4-thiadiazol-3-yl)ethanone is CC(=O)N1N=C(N)SC1c1ccccc1.
What is the InChIKey of 1-(5-amino-2-phenyl-2H-1,3,4-thiadiazol-3-yl)ethanone?
The InChIKey is FSUOZVHASSEDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-7(14)13-9(15-10(11)12-13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H2,11,12).
What are the key properties of 1-(5-amino-2-phenyl-2H-1,3,4-thiadiazol-3-yl)ethanone?
1-(5-amino-2-phenyl-2H-1,3,4-thiadiazol-3-yl)ethanone has a molecular weight of 221.29 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-phenyl-2H-1,3,4-thiadiazol-3-yl)ethanone is sourced from PubChem (CID 2841170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).