N-[5-[8-(5-acetamido-1,3,4-thiadiazol-2-yl)octyl]-1,3,4-thiadiazol-2-yl]acetamide

C16H24N6O2S2 — CID 3449097

IUPACN-[5-[8-(5-acetamido-1,3,4-thiadiazol-2-yl)octyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(CCCCCCCCc2nnc(NC(C)=O)s2)s1
InChIInChI=1S/C16H24N6O2S2/c1-11(23)17-15-21-19-13(25-15)9-7-5-3-4-6-8-10-14-20-22-16(26-14)18-12(2)24/h3-10H2,1-2H3,(H,17,21,23)(H,18,22,24)
InChIKeyYKUQSTKSPCPQRN-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.43
Rot. Bonds11

About N-[5-[8-(5-acetamido-1,3,4-thiadiazol-2-yl)octyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[8-(5-acetamido-1,3,4-thiadiazol-2-yl)octyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 3449097) has the molecular formula C16H24N6O2S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[5-[8-(5-acetamido-1,3,4-thiadiazol-2-yl)octyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[8-(5-acetamido-1,3,4-thiadiazol-2-yl)octyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID3449097
Molecular FormulaC16H24N6O2S2
Molecular Weight396.54 g/mol
Exact Mass396.14
IUPAC NameN-[5-[8-(5-acetamido-1,3,4-thiadiazol-2-yl)octyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(CCCCCCCCc2nnc(NC(C)=O)s2)s1
InChIInChI=1S/C16H24N6O2S2/c1-11(23)17-15-21-19-13(25-15)9-7-5-3-4-6-8-10-14-20-22-16(26-14)18-12(2)24/h3-10H2,1-2H3,(H,17,21,23)(H,18,22,24)
InChIKeyYKUQSTKSPCPQRN-UHFFFAOYSA-N
XLogP3.43
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[5-[8-(5-acetamido-1,3,4-thiadiazol-2-yl)octyl]-1,3,4-thiadiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[8-(5-acetamido-1,3,4-thiadiazol-2-yl)octyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[8-(5-acetamido-1,3,4-thiadiazol-2-yl)octyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 3449097) is N-[5-[8-(5-acetamido-1,3,4-thiadiazol-2-yl)octyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[8-(5-acetamido-1,3,4-thiadiazol-2-yl)octyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[8-(5-acetamido-1,3,4-thiadiazol-2-yl)octyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(CCCCCCCCc2nnc(NC(C)=O)s2)s1.
What is the InChIKey of N-[5-[8-(5-acetamido-1,3,4-thiadiazol-2-yl)octyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is YKUQSTKSPCPQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2S2/c1-11(23)17-15-21-19-13(25-15)9-7-5-3-4-6-8-10-14-20-22-16(26-14)18-12(2)24/h3-10H2,1-2H3,(H,17,21,23)(H,18,22,24).
What are the key properties of N-[5-[8-(5-acetamido-1,3,4-thiadiazol-2-yl)octyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[8-(5-acetamido-1,3,4-thiadiazol-2-yl)octyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 396.54 g/mol, XLogP of 3.43, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[8-(5-acetamido-1,3,4-thiadiazol-2-yl)octyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 3449097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).