4-[[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]methyl]oxan-4-ol

C13H24N4O2S — CID 114953247

IUPAC4-[[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]methyl]oxan-4-ol
SMILESCCCNc1snnc1CN(C)CC1(O)CCOCC1
InChIInChI=1S/C13H24N4O2S/c1-3-6-14-12-11(15-16-20-12)9-17(2)10-13(18)4-7-19-8-5-13/h14,18H,3-10H2,1-2H3
InChIKeyHYZASYZRKCINMI-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.33
Rot. Bonds7

About 4-[[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]methyl]oxan-4-ol

4-[[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]methyl]oxan-4-ol (PubChem CID 114953247) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-[[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]methyl]oxan-4-ol
PubChem CID114953247
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name4-[[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]methyl]oxan-4-ol
SMILESCCCNc1snnc1CN(C)CC1(O)CCOCC1
InChIInChI=1S/C13H24N4O2S/c1-3-6-14-12-11(15-16-20-12)9-17(2)10-13(18)4-7-19-8-5-13/h14,18H,3-10H2,1-2H3
InChIKeyHYZASYZRKCINMI-UHFFFAOYSA-N
XLogP1.33
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
CID 63966703
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62183351
2-[cyclopropyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol
CID 62208996
2-methyl-3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]propanenitrile
CID 62183362
4-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-ol
CID 114952758
4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114952785
2-[cyanomethyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetonitrile
CID 55046735
4-[[methyl-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]methyl]oxan-4-ol
CID 114953269
4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 79312747
4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62208073
4-[[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-ol
CID 114952911
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]methyl]oxan-4-ol (CID 114953247) is 4-[[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]methyl]oxan-4-ol is CCCNc1snnc1CN(C)CC1(O)CCOCC1.
What is the InChIKey of 4-[[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]methyl]oxan-4-ol?
The InChIKey is HYZASYZRKCINMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-3-6-14-12-11(15-16-20-12)9-17(2)10-13(18)4-7-19-8-5-13/h14,18H,3-10H2,1-2H3.
What are the key properties of 4-[[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]methyl]oxan-4-ol?
4-[[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]methyl]oxan-4-ol has a molecular weight of 300.43 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 114953247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).