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

C8H12F3N3OS — CID 106128464

IUPAC5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol
SMILESCC(O)CCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H12F3N3OS/c1-5(15)3-2-4-12-7-13-6(14-16-7)8(9,10)11/h5,15H,2-4H2,1H3,(H,12,13,14)
InChIKeyKFOPUWCYABLGQL-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.13
Rot. Bonds5

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

5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol (PubChem CID 106128464) has the molecular formula C8H12F3N3OS and a molecular weight of 255.26 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol
PubChem CID106128464
Molecular FormulaC8H12F3N3OS
Molecular Weight255.26 g/mol
Exact Mass255.07
IUPAC Name5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol
SMILESCC(O)CCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H12F3N3OS/c1-5(15)3-2-4-12-7-13-6(14-16-7)8(9,10)11/h5,15H,2-4H2,1H3,(H,12,13,14)
InChIKeyKFOPUWCYABLGQL-UHFFFAOYSA-N
XLogP2.13
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.13
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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Related Compounds

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
1,1,1-Trifluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103736428
1,1-Difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103894632
1,1-Difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103894635
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol
CID 103894639
2,2-Difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
CID 104858511
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol
CID 104858586
3-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol
CID 104952794
3-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol
CID 104952840
1,1,1-Trifluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 105647015
1,1-Difluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 105647631

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol?
The IUPAC name of 5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol (CID 106128464) is 5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol.
What is the SMILES notation for 5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol?
The canonical SMILES for 5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol is CC(O)CCCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol?
The InChIKey is KFOPUWCYABLGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3OS/c1-5(15)3-2-4-12-7-13-6(14-16-7)8(9,10)11/h5,15H,2-4H2,1H3,(H,12,13,14).
What are the key properties of 5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol?
5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol has a molecular weight of 255.26 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-2-ol is sourced from PubChem (CID 106128464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).