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

C8H13N5O3S2 — CID 43990841

IUPAC2-[[5-(2-methoxyethylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCOCCNC(=O)Nc1nnc(SCC(N)=O)s1
InChIInChI=1S/C8H13N5O3S2/c1-16-3-2-10-6(15)11-7-12-13-8(18-7)17-4-5(9)14/h2-4H2,1H3,(H2,9,14)(H2,10,11,12,15)
InChIKeyUTDYUBJYRUMEKT-UHFFFAOYSA-N
MW291.36 g/mol
LogP-0.12
Rot. Bonds7

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

2-[[5-(2-methoxyethylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 43990841) has the molecular formula C8H13N5O3S2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-[[5-(2-methoxyethylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[5-(2-methoxyethylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID43990841
Molecular FormulaC8H13N5O3S2
Molecular Weight291.36 g/mol
Exact Mass291.05
IUPAC Name2-[[5-(2-methoxyethylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCOCCNC(=O)Nc1nnc(SCC(N)=O)s1
InChIInChI=1S/C8H13N5O3S2/c1-16-3-2-10-6(15)11-7-12-13-8(18-7)17-4-5(9)14/h2-4H2,1H3,(H2,9,14)(H2,10,11,12,15)
InChIKeyUTDYUBJYRUMEKT-UHFFFAOYSA-N
XLogP-0.12
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[[5-(2-methoxyethylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[5-(2-methoxyethylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 43990841) is 2-[[5-(2-methoxyethylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[5-(2-methoxyethylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[5-(2-methoxyethylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is COCCNC(=O)Nc1nnc(SCC(N)=O)s1.
What is the InChIKey of 2-[[5-(2-methoxyethylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is UTDYUBJYRUMEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3S2/c1-16-3-2-10-6(15)11-7-12-13-8(18-7)17-4-5(9)14/h2-4H2,1H3,(H2,9,14)(H2,10,11,12,15).
What are the key properties of 2-[[5-(2-methoxyethylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
2-[[5-(2-methoxyethylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 291.36 g/mol, XLogP of -0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methoxyethylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 43990841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).