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

C6H8IN3OS — CID 156768683

IUPAC4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine
SMILESIc1nsnc1N1CCOCC1
InChIInChI=1S/C6H8IN3OS/c7-5-6(9-12-8-5)10-1-3-11-4-2-10/h1-4H2
InChIKeyUXXJZIYHOKQDQT-UHFFFAOYSA-N
MW297.12 g/mol
LogP0.98
Rot. Bonds1

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

4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine (PubChem CID 156768683) has the molecular formula C6H8IN3OS and a molecular weight of 297.12 g/mol. Its IUPAC name is 4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine
PubChem CID156768683
Molecular FormulaC6H8IN3OS
Molecular Weight297.12 g/mol
Exact Mass296.94
IUPAC Name4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine
SMILESIc1nsnc1N1CCOCC1
InChIInChI=1S/C6H8IN3OS/c7-5-6(9-12-8-5)10-1-3-11-4-2-10/h1-4H2
InChIKeyUXXJZIYHOKQDQT-UHFFFAOYSA-N
XLogP0.98
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
CID 18984519
4-(4-benzhydryloxy-1,2,5-thiadiazol-3-yl)morpholine
CID 43949546
(2S)-1-chloro-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
CID 11448848
4-(6-chloro-3-iodopyrazin-2-yl)morpholine
CID 165356549
methyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate
CID 666373
(2R)-1-(ethylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
CID 76968009
4-(5-methyl-2-morpholin-4-yl-1,3-thiazol-4-yl)morpholine
CID 59034806
(1S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-1-ol
CID 122538515
4,6-dimorpholin-4-ylpyrimidin-5-amine
CID 19137612
N-[1-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-(propan-2-ylamino)propan-2-ylidene]hydroxylamine;hydrochloride
CID 162082598
6-chloro-3-iodo-2-morpholin-4-ylpyridin-4-amine
CID 162736276
N-tert-butyl-2-methyl-N-[(2S)-2-[(2-methylpropan-2-yl)oxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]propan-2-amine
CID 153317924

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine?
The IUPAC name of 4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine (CID 156768683) is 4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine.
What is the SMILES notation for 4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine?
The canonical SMILES for 4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine is Ic1nsnc1N1CCOCC1.
What is the InChIKey of 4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine?
The InChIKey is UXXJZIYHOKQDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8IN3OS/c7-5-6(9-12-8-5)10-1-3-11-4-2-10/h1-4H2.
What are the key properties of 4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine?
4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine has a molecular weight of 297.12 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine is sourced from PubChem (CID 156768683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).