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

C7H11N3OS2 — CID 130636649

IUPAC4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine
SMILESCSc1nnc(N2CCOCC2)s1
InChIInChI=1S/C7H11N3OS2/c1-12-7-9-8-6(13-7)10-2-4-11-5-3-10/h2-5H2,1H3
InChIKeyLXZZOOOEQPCHKI-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.10
Rot. Bonds2

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

4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine (PubChem CID 130636649) has the molecular formula C7H11N3OS2 and a molecular weight of 217.32 g/mol. Its IUPAC name is 4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine
PubChem CID130636649
Molecular FormulaC7H11N3OS2
Molecular Weight217.32 g/mol
Exact Mass217.03
IUPAC Name4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine
SMILESCSc1nnc(N2CCOCC2)s1
InChIInChI=1S/C7H11N3OS2/c1-12-7-9-8-6(13-7)10-2-4-11-5-3-10/h2-5H2,1H3
InChIKeyLXZZOOOEQPCHKI-UHFFFAOYSA-N
XLogP1.10
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
CID 58663759
2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile
CID 47405314
4-(5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine
CID 133291466
4-[5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine
CID 95220434
(2R)-N-(tert-butylcarbamoyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 52506993
4-[5-[(2-methylphenyl)-phenylmethyl]sulfanyl-1,3,4-thiadiazol-2-yl]morpholine
CID 47944469
2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzoxazole
CID 47983559
4-[5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine
CID 122142418
2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
CID 47944690
4-methyl-2-[(1R)-1-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1H-pyrimidin-6-one
CID 136817047
N-(2-methyl-1-phenylpropyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 47945201
(2R)-1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one
CID 95035524

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine?
The IUPAC name of 4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine (CID 130636649) is 4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine.
What is the SMILES notation for 4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine?
The canonical SMILES for 4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine is CSc1nnc(N2CCOCC2)s1.
What is the InChIKey of 4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine?
The InChIKey is LXZZOOOEQPCHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS2/c1-12-7-9-8-6(13-7)10-2-4-11-5-3-10/h2-5H2,1H3.
What are the key properties of 4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine?
4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine has a molecular weight of 217.32 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine is sourced from PubChem (CID 130636649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).