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

C8H15N3O2S — CID 65273332

IUPAC1-methoxy-3-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCOCC(O)CN(C)c1nc(C)ns1
InChIInChI=1S/C8H15N3O2S/c1-6-9-8(14-10-6)11(2)4-7(12)5-13-3/h7,12H,4-5H2,1-3H3
InChIKeyUXKDZAVEQGIHPH-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.29
Rot. Bonds5

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

1-methoxy-3-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (PubChem CID 65273332) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-methoxy-3-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
PubChem CID65273332
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name1-methoxy-3-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCOCC(O)CN(C)c1nc(C)ns1
InChIInChI=1S/C8H15N3O2S/c1-6-9-8(14-10-6)11(2)4-7(12)5-13-3/h7,12H,4-5H2,1-3H3
InChIKeyUXKDZAVEQGIHPH-UHFFFAOYSA-N
XLogP0.29
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxypropan-2-ol
CID 71988591
(3R,4S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 75435506
1-(3-Methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 106673242
[6-Methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol
CID 107305754
(2S)-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 111976999
1-Methoxy-3-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 113944085
2-[2-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethoxy]ethanol
CID 114243532
1-Methoxy-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 65273138
2-[Methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65273209
2-[2-Hydroxyethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65273271
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)-propylamino]ethanol
CID 65273273
2-[Butyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65273331

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (CID 65273332) is 1-methoxy-3-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is COCC(O)CN(C)c1nc(C)ns1.
What is the InChIKey of 1-methoxy-3-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The InChIKey is UXKDZAVEQGIHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-6-9-8(14-10-6)11(2)4-7(12)5-13-3/h7,12H,4-5H2,1-3H3.
What are the key properties of 1-methoxy-3-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
1-methoxy-3-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol has a molecular weight of 217.29 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 65273332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).