N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(diethylamino)ethoxy]acetamide

C14H26N4O2S — CID 10448373

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(diethylamino)ethoxy]acetamide
SMILESCCCCc1nnc(NC(=O)COCCN(CC)CC)s1
InChIInChI=1S/C14H26N4O2S/c1-4-7-8-13-16-17-14(21-13)15-12(19)11-20-10-9-18(5-2)6-3/h4-11H2,1-3H3,(H,15,17,19)
InChIKeyLVNKPXRSOCUFQQ-UHFFFAOYSA-N
MW314.46 g/mol
LogP2.18
Rot. Bonds11

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(diethylamino)ethoxy]acetamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(diethylamino)ethoxy]acetamide (PubChem CID 10448373) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(diethylamino)ethoxy]acetamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(diethylamino)ethoxy]acetamide
PubChem CID10448373
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(diethylamino)ethoxy]acetamide
SMILESCCCCc1nnc(NC(=O)COCCN(CC)CC)s1
InChIInChI=1S/C14H26N4O2S/c1-4-7-8-13-16-17-14(21-13)15-12(19)11-20-10-9-18(5-2)6-3/h4-11H2,1-3H3,(H,15,17,19)
InChIKeyLVNKPXRSOCUFQQ-UHFFFAOYSA-N
XLogP2.18
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(diethylamino)ethoxy]acetamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(diethylamino)ethoxy]acetamide (CID 10448373) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(diethylamino)ethoxy]acetamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(diethylamino)ethoxy]acetamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(diethylamino)ethoxy]acetamide is CCCCc1nnc(NC(=O)COCCN(CC)CC)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(diethylamino)ethoxy]acetamide?
The InChIKey is LVNKPXRSOCUFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-4-7-8-13-16-17-14(21-13)15-12(19)11-20-10-9-18(5-2)6-3/h4-11H2,1-3H3,(H,15,17,19).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(diethylamino)ethoxy]acetamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(diethylamino)ethoxy]acetamide has a molecular weight of 314.46 g/mol, XLogP of 2.18, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(diethylamino)ethoxy]acetamide is sourced from PubChem (CID 10448373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).