N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiomorpholine-3-carboxamide

C9H14N4O2S — CID 106397886

IUPACN-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiomorpholine-3-carboxamide
SMILESO=C(NCCc1ncon1)C1CSCCN1
InChIInChI=1S/C9H14N4O2S/c14-9(7-5-16-4-3-10-7)11-2-1-8-12-6-15-13-8/h6-7,10H,1-5H2,(H,11,14)
InChIKeyXQDHCXQERWISMC-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.57
Rot. Bonds4

About N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiomorpholine-3-carboxamide

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiomorpholine-3-carboxamide (PubChem CID 106397886) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiomorpholine-3-carboxamide
PubChem CID106397886
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiomorpholine-3-carboxamide
SMILESO=C(NCCc1ncon1)C1CSCCN1
InChIInChI=1S/C9H14N4O2S/c14-9(7-5-16-4-3-10-7)11-2-1-8-12-6-15-13-8/h6-7,10H,1-5H2,(H,11,14)
InChIKeyXQDHCXQERWISMC-UHFFFAOYSA-N
XLogP-0.57
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiomorpholine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 106397734
N-[2-(3-fluorophenyl)ethyl]thiomorpholine-3-carboxamide
CID 82906717
N-(2-aminoethyl)thiomorpholine-3-carboxamide
CID 82908482
N-(2-methylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82917884
N-(1,2,4-oxadiazol-3-ylmethyl)morpholine-3-carboxamide
CID 106397009
N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide
CID 82917885
N-[(5-methylpyrazin-2-yl)methyl]thiomorpholine-3-carboxamide
CID 82908850
N-(1H-imidazol-2-ylmethyl)thiomorpholine-3-carboxamide
CID 82916761
N-[2-(dimethylcarbamoylamino)ethyl]thiomorpholine-3-carboxamide
CID 83111071
2-(cyclopropylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 106397634
N-(2-phenylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82908901
N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide
CID 82908917

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiomorpholine-3-carboxamide (CID 106397886) is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiomorpholine-3-carboxamide is O=C(NCCc1ncon1)C1CSCCN1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiomorpholine-3-carboxamide?
The InChIKey is XQDHCXQERWISMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c14-9(7-5-16-4-3-10-7)11-2-1-8-12-6-15-13-8/h6-7,10H,1-5H2,(H,11,14).
What are the key properties of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiomorpholine-3-carboxamide?
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiomorpholine-3-carboxamide has a molecular weight of 242.30 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 106397886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).