2-(2-chloroethyl)-5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole

C10H16ClN3OS — CID 106958626

IUPAC2-(2-chloroethyl)-5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole
SMILESCC1SCCN(c2nnc(CCCl)o2)C1C
InChIInChI=1S/C10H16ClN3OS/c1-7-8(2)16-6-5-14(7)10-13-12-9(15-10)3-4-11/h7-8H,3-6H2,1-2H3
InChIKeyADRYJCGCFZIDRG-UHFFFAOYSA-N
MW261.78 g/mol
LogP2.18
Rot. Bonds3

About 2-(2-chloroethyl)-5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole

2-(2-chloroethyl)-5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole (PubChem CID 106958626) has the molecular formula C10H16ClN3OS and a molecular weight of 261.78 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole
PubChem CID106958626
Molecular FormulaC10H16ClN3OS
Molecular Weight261.78 g/mol
Exact Mass261.07
IUPAC Name2-(2-chloroethyl)-5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole
SMILESCC1SCCN(c2nnc(CCCl)o2)C1C
InChIInChI=1S/C10H16ClN3OS/c1-7-8(2)16-6-5-14(7)10-13-12-9(15-10)3-4-11/h7-8H,3-6H2,1-2H3
InChIKeyADRYJCGCFZIDRG-UHFFFAOYSA-N
XLogP2.18
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-chloroethyl)-5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole 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

1-[5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106965066
2-(1-chloroethyl)-5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole
CID 106958625
2-(2-chloroethyl)-5-(2-methylpiperidin-1-yl)-1,3,4-oxadiazole
CID 106956310
2-(2-chloroethyl)-5-(2,6-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole
CID 106957832
2-(2-chloroethyl)-5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazole
CID 106956316
[4-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]-5-methylmorpholin-2-yl]methanol
CID 106958218
2-(2-chloroethyl)-5-(4,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazole
CID 106957615
2-(3-azabicyclo[4.1.0]heptan-3-yl)-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 164645456
1-[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]ethanol
CID 106959217
[4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]thiomorpholin-3-yl]methanol
CID 131052547
[1-[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]methanol
CID 106956508
2-(2-chloroethyl)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,3,4-oxadiazole
CID 106958049

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloroethyl)-5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole (CID 106958626) is 2-(2-chloroethyl)-5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloroethyl)-5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloroethyl)-5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole is CC1SCCN(c2nnc(CCCl)o2)C1C.
What is the InChIKey of 2-(2-chloroethyl)-5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole?
The InChIKey is ADRYJCGCFZIDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3OS/c1-7-8(2)16-6-5-14(7)10-13-12-9(15-10)3-4-11/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole?
2-(2-chloroethyl)-5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole has a molecular weight of 261.78 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 106958626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).