[4-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]oxan-4-yl]methanol

C8H12ClN3O2S — CID 106300603

IUPAC[4-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]oxan-4-yl]methanol
SMILESOCC1(Nc2nsnc2Cl)CCOCC1
InChIInChI=1S/C8H12ClN3O2S/c9-6-7(12-15-11-6)10-8(5-13)1-3-14-4-2-8/h13H,1-5H2,(H,10,12)
InChIKeyDBCURXAJXHSKRJ-UHFFFAOYSA-N
MW249.72 g/mol
LogP1.14
Rot. Bonds3

About [4-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]oxan-4-yl]methanol

[4-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]oxan-4-yl]methanol (PubChem CID 106300603) has the molecular formula C8H12ClN3O2S and a molecular weight of 249.72 g/mol. Its IUPAC name is [4-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]oxan-4-yl]methanol
PubChem CID106300603
Molecular FormulaC8H12ClN3O2S
Molecular Weight249.72 g/mol
Exact Mass249.03
IUPAC Name[4-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]oxan-4-yl]methanol
SMILESOCC1(Nc2nsnc2Cl)CCOCC1
InChIInChI=1S/C8H12ClN3O2S/c9-6-7(12-15-11-6)10-8(5-13)1-3-14-4-2-8/h13H,1-5H2,(H,10,12)
InChIKeyDBCURXAJXHSKRJ-UHFFFAOYSA-N
XLogP1.14
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(6-chloro-5-nitropyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 114170521
5-chloro-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136730479
[4-[(5-bromopyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106299315
[4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]oxan-4-yl]methanol
CID 106301087
[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106300524
[4-(2,1-benzothiazol-3-ylamino)oxan-4-yl]methanol
CID 106299620
[4-[(4-amino-6-chloro-2-pyridinyl)amino]oxan-4-yl]methanol
CID 114169989
4-chloro-N-[1-(1-methylcyclopropyl)cyclopropyl]-1,2,5-thiadiazol-3-amine
CID 131057663
[3-[(3-bromo-2-pyridinyl)amino]oxolan-3-yl]methanol
CID 130948421
[4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106300137
[4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106301522
[4-(4-aminoanilino)oxan-4-yl]methanol
CID 106296805

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]oxan-4-yl]methanol?
The IUPAC name of [4-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]oxan-4-yl]methanol (CID 106300603) is [4-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]oxan-4-yl]methanol is OCC1(Nc2nsnc2Cl)CCOCC1.
What is the InChIKey of [4-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]oxan-4-yl]methanol?
The InChIKey is DBCURXAJXHSKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2S/c9-6-7(12-15-11-6)10-8(5-13)1-3-14-4-2-8/h13H,1-5H2,(H,10,12).
What are the key properties of [4-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]oxan-4-yl]methanol?
[4-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]oxan-4-yl]methanol has a molecular weight of 249.72 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]oxan-4-yl]methanol is sourced from PubChem (CID 106300603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).