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

C10H9N3OS2 — CID 673933

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone
SMILESNc1nnc(SCC(=O)c2ccccc2)s1
InChIInChI=1S/C10H9N3OS2/c11-9-12-13-10(16-9)15-6-8(14)7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,12)
InChIKeyHIYMQRSHGHCZSG-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.10
Rot. Bonds4

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone (PubChem CID 673933) has the molecular formula C10H9N3OS2 and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone
PubChem CID673933
Molecular FormulaC10H9N3OS2
Molecular Weight251.34 g/mol
Exact Mass251.02
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone
SMILESNc1nnc(SCC(=O)c2ccccc2)s1
InChIInChI=1S/C10H9N3OS2/c11-9-12-13-10(16-9)15-6-8(14)7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,12)
InChIKeyHIYMQRSHGHCZSG-UHFFFAOYSA-N
XLogP2.10
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4-dimethylphenyl)ethanone
CID 673893
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone
CID 2086647
Phenacyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 2474469
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone
CID 5185807
2-[(5-Amino-1,3,4-thiadiazol-2-yl)thio]-1-(2-naphthyl)ethanone
CID 969552
4-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-bromophenyl)butan-1-one
CID 2398937
4-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylbutan-1-one
CID 2441871
4-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-fluorophenyl)butan-1-one
CID 2522294
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-methylphenyl)propan-1-one
CID 3413328
2-({5-[(2-Oxo-2-phenylethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-1-phenylethan-1-one
CID 1241590
N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
CID 975509
2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-1-biphenyl-4-yl-ethanone
CID 602369

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone (CID 673933) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone is Nc1nnc(SCC(=O)c2ccccc2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone?
The InChIKey is HIYMQRSHGHCZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS2/c11-9-12-13-10(16-9)15-6-8(14)7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,12).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone has a molecular weight of 251.34 g/mol, XLogP of 2.10, 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-phenylethanone is sourced from PubChem (CID 673933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).