(5-chloro-1,3,4-thiadiazol-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone

C10H14ClN3O2S — CID 80619685

IUPAC(5-chloro-1,3,4-thiadiazol-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2nnc(Cl)s2)CC(C)(C)O1
InChIInChI=1S/C10H14ClN3O2S/c1-6-4-14(5-10(2,3)16-6)8(15)7-12-13-9(11)17-7/h6H,4-5H2,1-3H3
InChIKeyIZEAFIJHAXFQMJ-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.83
Rot. Bonds1

About (5-chloro-1,3,4-thiadiazol-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone

(5-chloro-1,3,4-thiadiazol-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone (PubChem CID 80619685) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is (5-chloro-1,3,4-thiadiazol-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1,3,4-thiadiazol-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
PubChem CID80619685
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name(5-chloro-1,3,4-thiadiazol-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2nnc(Cl)s2)CC(C)(C)O1
InChIInChI=1S/C10H14ClN3O2S/c1-6-4-14(5-10(2,3)16-6)8(15)7-12-13-9(11)17-7/h6H,4-5H2,1-3H3
InChIKeyIZEAFIJHAXFQMJ-UHFFFAOYSA-N
XLogP1.83
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-chloro-1,3,4-thiadiazol-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone 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 (5-chloro-1,3,4-thiadiazol-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The IUPAC name of (5-chloro-1,3,4-thiadiazol-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone (CID 80619685) is (5-chloro-1,3,4-thiadiazol-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-chloro-1,3,4-thiadiazol-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-chloro-1,3,4-thiadiazol-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2nnc(Cl)s2)CC(C)(C)O1.
What is the InChIKey of (5-chloro-1,3,4-thiadiazol-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The InChIKey is IZEAFIJHAXFQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c1-6-4-14(5-10(2,3)16-6)8(15)7-12-13-9(11)17-7/h6H,4-5H2,1-3H3.
What are the key properties of (5-chloro-1,3,4-thiadiazol-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
(5-chloro-1,3,4-thiadiazol-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone has a molecular weight of 275.76 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3,4-thiadiazol-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 80619685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).