1,1,1-trifluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol

C6H8F3N3OS — CID 115904995

IUPAC1,1,1-trifluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol
SMILESOC(CNCc1csnn1)C(F)(F)F
InChIInChI=1S/C6H8F3N3OS/c7-6(8,9)5(13)2-10-1-4-3-14-12-11-4/h3,5,10,13H,1-2H2
InChIKeyLNNXXOSFJNKZGZ-UHFFFAOYSA-N
MW227.21 g/mol
LogP0.55
Rot. Bonds4

About 1,1,1-trifluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol

1,1,1-trifluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol (PubChem CID 115904995) has the molecular formula C6H8F3N3OS and a molecular weight of 227.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol
PubChem CID115904995
Molecular FormulaC6H8F3N3OS
Molecular Weight227.21 g/mol
Exact Mass227.03
IUPAC Name1,1,1-trifluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol
SMILESOC(CNCc1csnn1)C(F)(F)F
InChIInChI=1S/C6H8F3N3OS/c7-6(8,9)5(13)2-10-1-4-3-14-12-11-4/h3,5,10,13H,1-2H2
InChIKeyLNNXXOSFJNKZGZ-UHFFFAOYSA-N
XLogP0.55
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol (CID 115904995) is 1,1,1-trifluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol is OC(CNCc1csnn1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol?
The InChIKey is LNNXXOSFJNKZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3OS/c7-6(8,9)5(13)2-10-1-4-3-14-12-11-4/h3,5,10,13H,1-2H2.
What are the key properties of 1,1,1-trifluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol?
1,1,1-trifluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol has a molecular weight of 227.21 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol is sourced from PubChem (CID 115904995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).