N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine

C6H8F3N3S — CID 83959831

IUPACN-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine
SMILESCCNCc1nsc(C(F)(F)F)n1
InChIInChI=1S/C6H8F3N3S/c1-2-10-3-4-11-5(13-12-4)6(7,8)9/h10H,2-3H2,1H3
InChIKeyHGZOSLPKTXLVJT-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.67
Rot. Bonds3

About N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine

N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine (PubChem CID 83959831) has the molecular formula C6H8F3N3S and a molecular weight of 211.21 g/mol. Its IUPAC name is N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine
PubChem CID83959831
Molecular FormulaC6H8F3N3S
Molecular Weight211.21 g/mol
Exact Mass211.04
IUPAC NameN-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine
SMILESCCNCc1nsc(C(F)(F)F)n1
InChIInChI=1S/C6H8F3N3S/c1-2-10-3-4-11-5(13-12-4)6(7,8)9/h10H,2-3H2,1H3
InChIKeyHGZOSLPKTXLVJT-UHFFFAOYSA-N
XLogP1.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine (CID 83959831) is N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine is CCNCc1nsc(C(F)(F)F)n1.
What is the InChIKey of N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine?
The InChIKey is HGZOSLPKTXLVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3S/c1-2-10-3-4-11-5(13-12-4)6(7,8)9/h10H,2-3H2,1H3.
What are the key properties of N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine?
N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine has a molecular weight of 211.21 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 83959831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).