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

C9H14F3N3OS — CID 124738378

IUPAC(2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol
SMILESCC(C)(C)[C@H](CO)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H14F3N3OS/c1-8(2,3)5(4-16)13-7-14-6(15-17-7)9(10,11)12/h5,16H,4H2,1-3H3,(H,13,14,15)/t5-/m0/s1
InChIKeyQTHOZYUWIVLKER-YFKPBYRVSA-N
MW269.29 g/mol
LogP2.38
Rot. Bonds3

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

(2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol (PubChem CID 124738378) has the molecular formula C9H14F3N3OS and a molecular weight of 269.29 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol
PubChem CID124738378
Molecular FormulaC9H14F3N3OS
Molecular Weight269.29 g/mol
Exact Mass269.08
IUPAC Name(2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol
SMILESCC(C)(C)[C@H](CO)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H14F3N3OS/c1-8(2,3)5(4-16)13-7-14-6(15-17-7)9(10,11)12/h5,16H,4H2,1-3H3,(H,13,14,15)/t5-/m0/s1
InChIKeyQTHOZYUWIVLKER-YFKPBYRVSA-N
XLogP2.38
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-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 (2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol?
The IUPAC name of (2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol (CID 124738378) is (2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol.
What is the SMILES notation for (2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol?
The canonical SMILES for (2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol is CC(C)(C)[C@H](CO)Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of (2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol?
The InChIKey is QTHOZYUWIVLKER-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H14F3N3OS/c1-8(2,3)5(4-16)13-7-14-6(15-17-7)9(10,11)12/h5,16H,4H2,1-3H3,(H,13,14,15)/t5-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol?
(2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol has a molecular weight of 269.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol is sourced from PubChem (CID 124738378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).