4-[[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]methyl]oxan-4-ol

C11H20N4O2S — CID 114953269

IUPAC4-[[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]methyl]oxan-4-ol
SMILESCNc1nnc(CN(C)CC2(O)CCOCC2)s1
InChIInChI=1S/C11H20N4O2S/c1-12-10-14-13-9(18-10)7-15(2)8-11(16)3-5-17-6-4-11/h16H,3-8H2,1-2H3,(H,12,14)
InChIKeyQMLBGGVUXIEGFC-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.55
Rot. Bonds5

About 4-[[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]methyl]oxan-4-ol

4-[[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]methyl]oxan-4-ol (PubChem CID 114953269) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-[[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]methyl]oxan-4-ol
PubChem CID114953269
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name4-[[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]methyl]oxan-4-ol
SMILESCNc1nnc(CN(C)CC2(O)CCOCC2)s1
InChIInChI=1S/C11H20N4O2S/c1-12-10-14-13-9(18-10)7-15(2)8-11(16)3-5-17-6-4-11/h16H,3-8H2,1-2H3,(H,12,14)
InChIKeyQMLBGGVUXIEGFC-UHFFFAOYSA-N
XLogP0.55
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]methyl]oxan-4-ol with MolForge

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Related Compounds

5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 105416959
1-[[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 114948799
4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114952785
4-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]oxan-4-ol
CID 115746934
4-[[methyl-[[2-(methylamino)-4-pyridinyl]methyl]amino]methyl]oxan-4-ol
CID 114953250
N,N,N'-trimethyl-N'-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine
CID 80608780
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
CID 113269052
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]methyl]oxan-4-ol
CID 114953247
4-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-ol
CID 114952758
4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-4-ol
CID 113344645
4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114948809

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]methyl]oxan-4-ol (CID 114953269) is 4-[[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]methyl]oxan-4-ol is CNc1nnc(CN(C)CC2(O)CCOCC2)s1.
What is the InChIKey of 4-[[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]methyl]oxan-4-ol?
The InChIKey is QMLBGGVUXIEGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-12-10-14-13-9(18-10)7-15(2)8-11(16)3-5-17-6-4-11/h16H,3-8H2,1-2H3,(H,12,14).
What are the key properties of 4-[[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]methyl]oxan-4-ol?
4-[[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]methyl]oxan-4-ol has a molecular weight of 272.37 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 114953269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).