N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-ylmethylsulfanyl)acetamide

C11H13N3O2S3 — CID 4059299

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-ylmethylsulfanyl)acetamide
SMILESCCSc1nnc(NC(=O)CSCc2ccco2)s1
InChIInChI=1S/C11H13N3O2S3/c1-2-18-11-14-13-10(19-11)12-9(15)7-17-6-8-4-3-5-16-8/h3-5H,2,6-7H2,1H3,(H,12,13,15)
InChIKeyZFHGZHWCQVYTJA-UHFFFAOYSA-N
MW315.45 g/mol
LogP3.12
Rot. Bonds7

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-ylmethylsulfanyl)acetamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-ylmethylsulfanyl)acetamide (PubChem CID 4059299) has the molecular formula C11H13N3O2S3 and a molecular weight of 315.45 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-ylmethylsulfanyl)acetamide
PubChem CID4059299
Molecular FormulaC11H13N3O2S3
Molecular Weight315.45 g/mol
Exact Mass315.02
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-ylmethylsulfanyl)acetamide
SMILESCCSc1nnc(NC(=O)CSCc2ccco2)s1
InChIInChI=1S/C11H13N3O2S3/c1-2-18-11-14-13-10(19-11)12-9(15)7-17-6-8-4-3-5-16-8/h3-5H,2,6-7H2,1H3,(H,12,13,15)
InChIKeyZFHGZHWCQVYTJA-UHFFFAOYSA-N
XLogP3.12
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-ylmethylsulfanyl)acetamide (CID 4059299) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-ylmethylsulfanyl)acetamide is CCSc1nnc(NC(=O)CSCc2ccco2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-ylmethylsulfanyl)acetamide?
The InChIKey is ZFHGZHWCQVYTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S3/c1-2-18-11-14-13-10(19-11)12-9(15)7-17-6-8-4-3-5-16-8/h3-5H,2,6-7H2,1H3,(H,12,13,15).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-ylmethylsulfanyl)acetamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-ylmethylsulfanyl)acetamide has a molecular weight of 315.45 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 4059299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).