(2S)-2-ethynyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine

C9H11N3OS — CID 162374957

IUPAC(2S)-2-ethynyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
SMILESC#C[C@H]1CN(c2nnc(C)s2)CCO1
InChIInChI=1S/C9H11N3OS/c1-3-8-6-12(4-5-13-8)9-11-10-7(2)14-9/h1,8H,4-6H2,2H3/t8-/m0/s1
InChIKeyMDEOODJLAKVYRM-QMMMGPOBSA-N
MW209.27 g/mol
LogP0.68
Rot. Bonds1

About (2S)-2-ethynyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine

(2S)-2-ethynyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine (PubChem CID 162374957) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is (2S)-2-ethynyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine.

Molecular Properties

Compound Name(2S)-2-ethynyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
PubChem CID162374957
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name(2S)-2-ethynyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
SMILESC#C[C@H]1CN(c2nnc(C)s2)CCO1
InChIInChI=1S/C9H11N3OS/c1-3-8-6-12(4-5-13-8)9-11-10-7(2)14-9/h1,8H,4-6H2,2H3/t8-/m0/s1
InChIKeyMDEOODJLAKVYRM-QMMMGPOBSA-N
XLogP0.68
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-2-ethynyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine 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 (2S)-2-ethynyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine?
The IUPAC name of (2S)-2-ethynyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine (CID 162374957) is (2S)-2-ethynyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine.
What is the SMILES notation for (2S)-2-ethynyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine?
The canonical SMILES for (2S)-2-ethynyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine is C#C[C@H]1CN(c2nnc(C)s2)CCO1.
What is the InChIKey of (2S)-2-ethynyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine?
The InChIKey is MDEOODJLAKVYRM-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-3-8-6-12(4-5-13-8)9-11-10-7(2)14-9/h1,8H,4-6H2,2H3/t8-/m0/s1.
What are the key properties of (2S)-2-ethynyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine?
(2S)-2-ethynyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine has a molecular weight of 209.27 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethynyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine is sourced from PubChem (CID 162374957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).