N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide

C10H16N4O2S2 — CID 3224579

IUPACN-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(SCCN2CCOCC2)s1
InChIInChI=1S/C10H16N4O2S2/c1-8(15)11-9-12-13-10(18-9)17-7-4-14-2-5-16-6-3-14/h2-7H2,1H3,(H,11,12,15)
InChIKeySEPHQBPCQICHRE-UHFFFAOYSA-N
MW288.40 g/mol
LogP0.92
Rot. Bonds5

About N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide

N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 3224579) has the molecular formula C10H16N4O2S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID3224579
Molecular FormulaC10H16N4O2S2
Molecular Weight288.40 g/mol
Exact Mass288.07
IUPAC NameN-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(SCCN2CCOCC2)s1
InChIInChI=1S/C10H16N4O2S2/c1-8(15)11-9-12-13-10(18-9)17-7-4-14-2-5-16-6-3-14/h2-7H2,1H3,(H,11,12,15)
InChIKeySEPHQBPCQICHRE-UHFFFAOYSA-N
XLogP0.92
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 50.92
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-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 3224579) is N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(SCCN2CCOCC2)s1.
What is the InChIKey of N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is SEPHQBPCQICHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S2/c1-8(15)11-9-12-13-10(18-9)17-7-4-14-2-5-16-6-3-14/h2-7H2,1H3,(H,11,12,15).
What are the key properties of N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 288.40 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 3224579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).