2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone

C10H8ClN3OS2 — CID 723661

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone
SMILESNc1nnc(SCC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C10H8ClN3OS2/c11-7-3-1-6(2-4-7)8(15)5-16-10-14-13-9(12)17-10/h1-4H,5H2,(H2,12,13)
InChIKeyRWVOMUHHMRQHON-UHFFFAOYSA-N
MW285.78 g/mol
LogP2.75
Rot. Bonds4

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone (PubChem CID 723661) has the molecular formula C10H8ClN3OS2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone
PubChem CID723661
Molecular FormulaC10H8ClN3OS2
Molecular Weight285.78 g/mol
Exact Mass284.98
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone
SMILESNc1nnc(SCC(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C10H8ClN3OS2/c11-7-3-1-6(2-4-7)8(15)5-16-10-14-13-9(12)17-10/h1-4H,5H2,(H2,12,13)
InChIKeyRWVOMUHHMRQHON-UHFFFAOYSA-N
XLogP2.75
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone (CID 723661) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone is Nc1nnc(SCC(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone?
The InChIKey is RWVOMUHHMRQHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3OS2/c11-7-3-1-6(2-4-7)8(15)5-16-10-14-13-9(12)17-10/h1-4H,5H2,(H2,12,13).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone has a molecular weight of 285.78 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone is sourced from PubChem (CID 723661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).