3-[thiadiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol

C8H12F3N3OS — CID 115882732

IUPAC3-[thiadiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESOCCCN(Cc1csnn1)CC(F)(F)F
InChIInChI=1S/C8H12F3N3OS/c9-8(10,11)6-14(2-1-3-15)4-7-5-16-13-12-7/h5,15H,1-4,6H2
InChIKeyGAGKXURFAOAKAN-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.28
Rot. Bonds6

About 3-[thiadiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol

3-[thiadiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol (PubChem CID 115882732) has the molecular formula C8H12F3N3OS and a molecular weight of 255.26 g/mol. Its IUPAC name is 3-[thiadiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[thiadiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
PubChem CID115882732
Molecular FormulaC8H12F3N3OS
Molecular Weight255.26 g/mol
Exact Mass255.07
IUPAC Name3-[thiadiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESOCCCN(Cc1csnn1)CC(F)(F)F
InChIInChI=1S/C8H12F3N3OS/c9-8(10,11)6-14(2-1-3-15)4-7-5-16-13-12-7/h5,15H,1-4,6H2
InChIKeyGAGKXURFAOAKAN-UHFFFAOYSA-N
XLogP1.28
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[thiadiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The IUPAC name of 3-[thiadiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol (CID 115882732) is 3-[thiadiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[thiadiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The canonical SMILES for 3-[thiadiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol is OCCCN(Cc1csnn1)CC(F)(F)F.
What is the InChIKey of 3-[thiadiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The InChIKey is GAGKXURFAOAKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3OS/c9-8(10,11)6-14(2-1-3-15)4-7-5-16-13-12-7/h5,15H,1-4,6H2.
What are the key properties of 3-[thiadiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
3-[thiadiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol has a molecular weight of 255.26 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[thiadiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol is sourced from PubChem (CID 115882732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).