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

C7H10F3N3OS — CID 83959822

IUPAC3-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]propan-1-ol
SMILESOCCCNCc1nsc(C(F)(F)F)n1
InChIInChI=1S/C7H10F3N3OS/c8-7(9,10)6-12-5(13-15-6)4-11-2-1-3-14/h11,14H,1-4H2
InChIKeyMVVZOBGEUNRMTF-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.03
Rot. Bonds5

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

3-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]propan-1-ol (PubChem CID 83959822) has the molecular formula C7H10F3N3OS and a molecular weight of 241.24 g/mol. Its IUPAC name is 3-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]propan-1-ol
PubChem CID83959822
Molecular FormulaC7H10F3N3OS
Molecular Weight241.24 g/mol
Exact Mass241.05
IUPAC Name3-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]propan-1-ol
SMILESOCCCNCc1nsc(C(F)(F)F)n1
InChIInChI=1S/C7H10F3N3OS/c8-7(9,10)6-12-5(13-15-6)4-11-2-1-3-14/h11,14H,1-4H2
InChIKeyMVVZOBGEUNRMTF-UHFFFAOYSA-N
XLogP1.03
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]propan-1-ol?
The IUPAC name of 3-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]propan-1-ol (CID 83959822) is 3-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]propan-1-ol.
What is the SMILES notation for 3-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]propan-1-ol?
The canonical SMILES for 3-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]propan-1-ol is OCCCNCc1nsc(C(F)(F)F)n1.
What is the InChIKey of 3-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]propan-1-ol?
The InChIKey is MVVZOBGEUNRMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS/c8-7(9,10)6-12-5(13-15-6)4-11-2-1-3-14/h11,14H,1-4H2.
What are the key properties of 3-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]propan-1-ol?
3-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]propan-1-ol has a molecular weight of 241.24 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]propan-1-ol is sourced from PubChem (CID 83959822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).