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

C9H14F3N3OS — CID 114449682

IUPAC2-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-1-ol
SMILESCCC(CC)(CO)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H14F3N3OS/c1-3-8(4-2,5-16)13-7-15-14-6(17-7)9(10,11)12/h16H,3-5H2,1-2H3,(H,13,15)
InChIKeyYYTWRCDQSLAKAM-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.52
Rot. Bonds5

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

2-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-1-ol (PubChem CID 114449682) has the molecular formula C9H14F3N3OS and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-1-ol
PubChem CID114449682
Molecular FormulaC9H14F3N3OS
Molecular Weight269.29 g/mol
Exact Mass269.08
IUPAC Name2-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-1-ol
SMILESCCC(CC)(CO)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H14F3N3OS/c1-3-8(4-2,5-16)13-7-15-14-6(17-7)9(10,11)12/h16H,3-5H2,1-2H3,(H,13,15)
InChIKeyYYTWRCDQSLAKAM-UHFFFAOYSA-N
XLogP2.52
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-1-ol (CID 114449682) is 2-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-1-ol is CCC(CC)(CO)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-1-ol?
The InChIKey is YYTWRCDQSLAKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3OS/c1-3-8(4-2,5-16)13-7-15-14-6(17-7)9(10,11)12/h16H,3-5H2,1-2H3,(H,13,15).
What are the key properties of 2-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-1-ol?
2-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-1-ol has a molecular weight of 269.29 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-1-ol is sourced from PubChem (CID 114449682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).