2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide

C10H18N4O2S2 — CID 9379539

IUPAC2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
SMILESCCNc1nnc(SCC(=O)NCCCOC)s1
InChIInChI=1S/C10H18N4O2S2/c1-3-11-9-13-14-10(18-9)17-7-8(15)12-5-4-6-16-2/h3-7H2,1-2H3,(H,11,13)(H,12,15)
InChIKeyMFUBINWBIIWPFH-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.21
Rot. Bonds9

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

2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide (PubChem CID 9379539) has the molecular formula C10H18N4O2S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
PubChem CID9379539
Molecular FormulaC10H18N4O2S2
Molecular Weight290.41 g/mol
Exact Mass290.09
IUPAC Name2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
SMILESCCNc1nnc(SCC(=O)NCCCOC)s1
InChIInChI=1S/C10H18N4O2S2/c1-3-11-9-13-14-10(18-9)17-7-8(15)12-5-4-6-16-2/h3-7H2,1-2H3,(H,11,13)(H,12,15)
InChIKeyMFUBINWBIIWPFH-UHFFFAOYSA-N
XLogP1.21
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide (CID 9379539) is 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide is CCNc1nnc(SCC(=O)NCCCOC)s1.
What is the InChIKey of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide?
The InChIKey is MFUBINWBIIWPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S2/c1-3-11-9-13-14-10(18-9)17-7-8(15)12-5-4-6-16-2/h3-7H2,1-2H3,(H,11,13)(H,12,15).
What are the key properties of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide?
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 9379539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).