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

C8H13N3OS — CID 130685662

IUPAC3-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
SMILESCc1nsc(N2CCOCC2C)n1
InChIInChI=1S/C8H13N3OS/c1-6-5-12-4-3-11(6)8-9-7(2)10-13-8/h6H,3-5H2,1-2H3
InChIKeyNYIDHFYIZKZXLH-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.07
Rot. Bonds1

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

3-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine (PubChem CID 130685662) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 3-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine.

Molecular Properties

Compound Name3-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
PubChem CID130685662
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name3-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
SMILESCc1nsc(N2CCOCC2C)n1
InChIInChI=1S/C8H13N3OS/c1-6-5-12-4-3-11(6)8-9-7(2)10-13-8/h6H,3-5H2,1-2H3
InChIKeyNYIDHFYIZKZXLH-UHFFFAOYSA-N
XLogP1.07
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
CID 97094875
3-methyl-5-[(2R)-2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133428675
(3R)-3-methyl-4-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155440037
(3R)-3-methyl-4-[4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155439964
N-methyl-1-[4-methyl-2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 55111916
4-(4-chloro-1,2,5-thiadiazol-3-yl)-3-methylmorpholine
CID 43808294
4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
CID 139520999
2-(3-methylmorpholin-4-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 55113659
4-cyclopropyl-5-(3-methylmorpholin-4-yl)-1,2-thiazol-3-amine
CID 103360446
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
CID 83095298
4-(4-chloro-6-methyl-2-pyridinyl)-3-methylmorpholine
CID 166928502
4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine?
The IUPAC name of 3-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine (CID 130685662) is 3-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine.
What is the SMILES notation for 3-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine?
The canonical SMILES for 3-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine is Cc1nsc(N2CCOCC2C)n1.
What is the InChIKey of 3-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine?
The InChIKey is NYIDHFYIZKZXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-6-5-12-4-3-11(6)8-9-7(2)10-13-8/h6H,3-5H2,1-2H3.
What are the key properties of 3-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine?
3-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine has a molecular weight of 199.28 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine is sourced from PubChem (CID 130685662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).