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

C10H16F3N3OS — CID 104924277

IUPAC3-ethyl-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentan-2-ol
SMILESCCC(CC)C(O)CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H16F3N3OS/c1-3-6(4-2)7(17)5-14-9-16-15-8(18-9)10(11,12)13/h6-7,17H,3-5H2,1-2H3,(H,14,16)
InChIKeyGBPUVZHGWAVMPQ-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.77
Rot. Bonds6

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

3-ethyl-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentan-2-ol (PubChem CID 104924277) has the molecular formula C10H16F3N3OS and a molecular weight of 283.32 g/mol. Its IUPAC name is 3-ethyl-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentan-2-ol
PubChem CID104924277
Molecular FormulaC10H16F3N3OS
Molecular Weight283.32 g/mol
Exact Mass283.10
IUPAC Name3-ethyl-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentan-2-ol
SMILESCCC(CC)C(O)CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H16F3N3OS/c1-3-6(4-2)7(17)5-14-9-16-15-8(18-9)10(11,12)13/h6-7,17H,3-5H2,1-2H3,(H,14,16)
InChIKeyGBPUVZHGWAVMPQ-UHFFFAOYSA-N
XLogP2.77
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentan-2-ol (CID 104924277) is 3-ethyl-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentan-2-ol is CCC(CC)C(O)CNc1nnc(C(F)(F)F)s1.
What is the InChIKey of 3-ethyl-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentan-2-ol?
The InChIKey is GBPUVZHGWAVMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3OS/c1-3-6(4-2)7(17)5-14-9-16-15-8(18-9)10(11,12)13/h6-7,17H,3-5H2,1-2H3,(H,14,16).
What are the key properties of 3-ethyl-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentan-2-ol?
3-ethyl-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentan-2-ol has a molecular weight of 283.32 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentan-2-ol is sourced from PubChem (CID 104924277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).