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

C8H12F3N3OS — CID 107305731

IUPAC2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
SMILESCN(c1nc(C(F)(F)F)ns1)C(C)(C)CO
InChIInChI=1S/C8H12F3N3OS/c1-7(2,4-15)14(3)6-12-5(13-16-6)8(9,10)11/h15H,4H2,1-3H3
InChIKeyDLZKYPNKDTZHMT-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.76
Rot. Bonds3

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

2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol (PubChem CID 107305731) has the molecular formula C8H12F3N3OS and a molecular weight of 255.26 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
PubChem CID107305731
Molecular FormulaC8H12F3N3OS
Molecular Weight255.26 g/mol
Exact Mass255.07
IUPAC Name2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
SMILESCN(c1nc(C(F)(F)F)ns1)C(C)(C)CO
InChIInChI=1S/C8H12F3N3OS/c1-7(2,4-15)14(3)6-12-5(13-16-6)8(9,10)11/h15H,4H2,1-3H3
InChIKeyDLZKYPNKDTZHMT-UHFFFAOYSA-N
XLogP1.76
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol (CID 107305731) is 2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol is CN(c1nc(C(F)(F)F)ns1)C(C)(C)CO.
What is the InChIKey of 2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
The InChIKey is DLZKYPNKDTZHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3OS/c1-7(2,4-15)14(3)6-12-5(13-16-6)8(9,10)11/h15H,4H2,1-3H3.
What are the key properties of 2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol has a molecular weight of 255.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol is sourced from PubChem (CID 107305731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).