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

C7H13N3O2S — CID 65273138

IUPAC1-methoxy-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCOCC(O)CNc1nc(C)ns1
InChIInChI=1S/C7H13N3O2S/c1-5-9-7(13-10-5)8-3-6(11)4-12-2/h6,11H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyLHKNATBEKVXJFF-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.27
Rot. Bonds5

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

1-methoxy-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (PubChem CID 65273138) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 1-methoxy-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
PubChem CID65273138
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name1-methoxy-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCOCC(O)CNc1nc(C)ns1
InChIInChI=1S/C7H13N3O2S/c1-5-9-7(13-10-5)8-3-6(11)4-12-2/h6,11H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyLHKNATBEKVXJFF-UHFFFAOYSA-N
XLogP0.27
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(Tert-butylamino)-3-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]propan-2-ol
CID 12399826
1-Methoxy-3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 102561715
1,1,1-Trifluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103702775
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 103736426
1,1-Difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103894632
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol
CID 103894639
N-(2,3-dimethoxypropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105700397
1-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 107304711
1-Methoxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 107304977
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,2-diol
CID 107305027
2-Methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,2-diol
CID 107305028
1-Methoxy-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol
CID 114163491

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (CID 65273138) is 1-methoxy-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is COCC(O)CNc1nc(C)ns1.
What is the InChIKey of 1-methoxy-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The InChIKey is LHKNATBEKVXJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-5-9-7(13-10-5)8-3-6(11)4-12-2/h6,11H,3-4H2,1-2H3,(H,8,9,10).
What are the key properties of 1-methoxy-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
1-methoxy-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol has a molecular weight of 203.27 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 65273138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).