2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide

C9H12N4OS4 — CID 5053625

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCSc1nnc(NC(=O)CSC2=NCCS2)s1
InChIInChI=1S/C9H12N4OS4/c1-2-15-9-13-12-7(18-9)11-6(14)5-17-8-10-3-4-16-8/h2-5H2,1H3,(H,11,12,14)
InChIKeyGTFLXCAXPLCIGA-UHFFFAOYSA-N
MW320.49 g/mol
LogP2.42
Rot. Bonds5

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 5053625) has the molecular formula C9H12N4OS4 and a molecular weight of 320.49 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID5053625
Molecular FormulaC9H12N4OS4
Molecular Weight320.49 g/mol
Exact Mass319.99
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCSc1nnc(NC(=O)CSC2=NCCS2)s1
InChIInChI=1S/C9H12N4OS4/c1-2-15-9-13-12-7(18-9)11-6(14)5-17-8-10-3-4-16-8/h2-5H2,1H3,(H,11,12,14)
InChIKeyGTFLXCAXPLCIGA-UHFFFAOYSA-N
XLogP2.42
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.49
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (CID 5053625) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is CCSc1nnc(NC(=O)CSC2=NCCS2)s1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is GTFLXCAXPLCIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS4/c1-2-15-9-13-12-7(18-9)11-6(14)5-17-8-10-3-4-16-8/h2-5H2,1H3,(H,11,12,14).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 320.49 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 5053625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).