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

C10H10N4OS2 — CID 698762

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide
SMILESNc1nnc(SCC(=O)Nc2ccccc2)s1
InChIInChI=1S/C10H10N4OS2/c11-9-13-14-10(17-9)16-6-8(15)12-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,13)(H,12,15)
InChIKeyLZIITYOJDOSNHT-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.85
Rot. Bonds4

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide (PubChem CID 698762) has the molecular formula C10H10N4OS2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide
PubChem CID698762
Molecular FormulaC10H10N4OS2
Molecular Weight266.35 g/mol
Exact Mass266.03
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide
SMILESNc1nnc(SCC(=O)Nc2ccccc2)s1
InChIInChI=1S/C10H10N4OS2/c11-9-13-14-10(17-9)16-6-8(15)12-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,13)(H,12,15)
InChIKeyLZIITYOJDOSNHT-UHFFFAOYSA-N
XLogP1.85
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide (CID 698762) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide is Nc1nnc(SCC(=O)Nc2ccccc2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is LZIITYOJDOSNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS2/c11-9-13-14-10(17-9)16-6-8(15)12-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,13)(H,12,15).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 266.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 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]-N-phenylacetamide is sourced from PubChem (CID 698762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).