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

C7H11N3OS — CID 58663759

IUPAC4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
SMILESCc1nnc(N2CCOCC2)s1
InChIInChI=1S/C7H11N3OS/c1-6-8-9-7(12-6)10-2-4-11-5-3-10/h2-5H2,1H3
InChIKeyMMJYZGLPGKPRTO-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.68
Rot. Bonds1

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

4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine (PubChem CID 58663759) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
PubChem CID58663759
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
SMILESCc1nnc(N2CCOCC2)s1
InChIInChI=1S/C7H11N3OS/c1-6-8-9-7(12-6)10-2-4-11-5-3-10/h2-5H2,1H3
InChIKeyMMJYZGLPGKPRTO-UHFFFAOYSA-N
XLogP0.68
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 146078224
2-methyl-5-piperazin-1-yl-1,3,4-thiadiazole;hydrochloride
CID 169312225
4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine
CID 130636649
2-(4-bromopiperidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 80674326
4-(5-methyl-2-morpholin-4-yl-1,3-thiazol-4-yl)morpholine
CID 59034806
[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165434746
2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 122160087
4-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-thiazepane
CID 130619166
2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazole
CID 133335896
(2S)-2-ethynyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
CID 162374957
[4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholin-2-yl]methanamine
CID 65209424
2-(4-cyclopropylsulfonylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 108780894

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine?
The IUPAC name of 4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine (CID 58663759) is 4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine.
What is the SMILES notation for 4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine?
The canonical SMILES for 4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine is Cc1nnc(N2CCOCC2)s1.
What is the InChIKey of 4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine?
The InChIKey is MMJYZGLPGKPRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-6-8-9-7(12-6)10-2-4-11-5-3-10/h2-5H2,1H3.
What are the key properties of 4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine?
4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine has a molecular weight of 185.25 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 4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine is sourced from PubChem (CID 58663759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).