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

C10H17N4O2S+ — CID 7352947

IUPACN-[5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(CC[NH+]2CCOCC2)s1
InChIInChI=1S/C10H16N4O2S/c1-8(15)11-10-13-12-9(17-10)2-3-14-4-6-16-7-5-14/h2-7H2,1H3,(H,11,13,15)/p+1
InChIKeyHNJIQDVJDWDTKY-UHFFFAOYSA-O
MW257.34 g/mol
LogP-1.05
Rot. Bonds4

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

N-[5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 7352947) has the molecular formula C10H17N4O2S+ and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID7352947
Molecular FormulaC10H17N4O2S+
Molecular Weight257.34 g/mol
Exact Mass257.11
IUPAC NameN-[5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(CC[NH+]2CCOCC2)s1
InChIInChI=1S/C10H16N4O2S/c1-8(15)11-10-13-12-9(17-10)2-3-14-4-6-16-7-5-14/h2-7H2,1H3,(H,11,13,15)/p+1
InChIKeyHNJIQDVJDWDTKY-UHFFFAOYSA-O
XLogP-1.05
TPSA68.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(2-morpholin-4-ium-4-ylethyl)-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-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 7352947) is N-[5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(CC[NH+]2CCOCC2)s1.
What is the InChIKey of N-[5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is HNJIQDVJDWDTKY-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H16N4O2S/c1-8(15)11-10-13-12-9(17-10)2-3-14-4-6-16-7-5-14/h2-7H2,1H3,(H,11,13,15)/p+1.
What are the key properties of N-[5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 257.34 g/mol, XLogP of -1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-morpholin-4-ium-4-ylethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 7352947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).