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

C7H10F3N3OS — CID 107305729

IUPAC2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
SMILESCC(CO)N(C)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3OS/c1-4(3-14)13(2)6-11-5(12-15-6)7(8,9)10/h4,14H,3H2,1-2H3
InChIKeyOZNJDJNECPVYPK-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.37
Rot. Bonds3

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

2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol (PubChem CID 107305729) has the molecular formula C7H10F3N3OS and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
PubChem CID107305729
Molecular FormulaC7H10F3N3OS
Molecular Weight241.24 g/mol
Exact Mass241.05
IUPAC Name2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
SMILESCC(CO)N(C)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3OS/c1-4(3-14)13(2)6-11-5(12-15-6)7(8,9)10/h4,14H,3H2,1-2H3
InChIKeyOZNJDJNECPVYPK-UHFFFAOYSA-N
XLogP1.37
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methoxy-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 106186211
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol
CID 107304709
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 107304712
2-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propane-1,3-diol
CID 107305012
2-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305659
2-[Cyclopropyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305662
2-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305667
2-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305672
3-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 107305674
2-[2-Hydroxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305676
2-[Propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305679
2-[Butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305680

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
The IUPAC name of 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol (CID 107305729) is 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
The canonical SMILES for 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol is CC(CO)N(C)c1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
The InChIKey is OZNJDJNECPVYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS/c1-4(3-14)13(2)6-11-5(12-15-6)7(8,9)10/h4,14H,3H2,1-2H3.
What are the key properties of 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol has a molecular weight of 241.24 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol is sourced from PubChem (CID 107305729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).