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

C7H10F3N3O2S — CID 106186211

IUPAC3-methoxy-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
SMILESCOCC(CO)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3O2S/c1-15-3-4(2-14)11-6-12-5(13-16-6)7(8,9)10/h4,14H,2-3H2,1H3,(H,11,12,13)
InChIKeyOTCCEEUGOHRVMN-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.98
Rot. Bonds5

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

3-methoxy-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol (PubChem CID 106186211) has the molecular formula C7H10F3N3O2S and a molecular weight of 257.24 g/mol. Its IUPAC name is 3-methoxy-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-methoxy-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
PubChem CID106186211
Molecular FormulaC7H10F3N3O2S
Molecular Weight257.24 g/mol
Exact Mass257.04
IUPAC Name3-methoxy-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
SMILESCOCC(CO)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3O2S/c1-15-3-4(2-14)11-6-12-5(13-16-6)7(8,9)10/h4,14H,2-3H2,1H3,(H,11,12,13)
InChIKeyOTCCEEUGOHRVMN-UHFFFAOYSA-N
XLogP0.98
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol
CID 124738378
N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304642
N-(2-methoxyethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268347
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65272894
N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 103081419
N-ethyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103476985
N-propan-2-yl-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103476988
N-propan-2-yl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103476989
N-(2-methoxyethyl)-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103476994
N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103476995
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

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
The IUPAC name of 3-methoxy-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol (CID 106186211) is 3-methoxy-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol.
What is the SMILES notation for 3-methoxy-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
The canonical SMILES for 3-methoxy-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol is COCC(CO)Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of 3-methoxy-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
The InChIKey is OTCCEEUGOHRVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2S/c1-15-3-4(2-14)11-6-12-5(13-16-6)7(8,9)10/h4,14H,2-3H2,1H3,(H,11,12,13).
What are the key properties of 3-methoxy-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
3-methoxy-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol has a molecular weight of 257.24 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol is sourced from PubChem (CID 106186211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).