2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C10H9N3OS3 — CID 748406

IUPAC2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESNC(=O)CSc1nn(-c2ccccc2)c(=S)s1
InChIInChI=1S/C10H9N3OS3/c11-8(14)6-16-9-12-13(10(15)17-9)7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,14)
InChIKeyXNMHVDWIFBMSPD-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.24
Rot. Bonds4

About 2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 748406) has the molecular formula C10H9N3OS3 and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID748406
Molecular FormulaC10H9N3OS3
Molecular Weight283.40 g/mol
Exact Mass282.99
IUPAC Name2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESNC(=O)CSc1nn(-c2ccccc2)c(=S)s1
InChIInChI=1S/C10H9N3OS3/c11-8(14)6-16-9-12-13(10(15)17-9)7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,14)
InChIKeyXNMHVDWIFBMSPD-UHFFFAOYSA-N
XLogP2.24
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 748406) is 2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is NC(=O)CSc1nn(-c2ccccc2)c(=S)s1.
What is the InChIKey of 2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is XNMHVDWIFBMSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS3/c11-8(14)6-16-9-12-13(10(15)17-9)7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,14).
What are the key properties of 2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 283.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 748406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).