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

C5H6F3N3S — CID 83959830

IUPACN-methyl-1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine
SMILESCNCc1nsc(C(F)(F)F)n1
InChIInChI=1S/C5H6F3N3S/c1-9-2-3-10-4(12-11-3)5(6,7)8/h9H,2H2,1H3
InChIKeyBVYMSQMYHMZHGY-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.28
Rot. Bonds2

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

N-methyl-1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine (PubChem CID 83959830) has the molecular formula C5H6F3N3S and a molecular weight of 197.18 g/mol. Its IUPAC name is N-methyl-1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine
PubChem CID83959830
Molecular FormulaC5H6F3N3S
Molecular Weight197.18 g/mol
Exact Mass197.02
IUPAC NameN-methyl-1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine
SMILESCNCc1nsc(C(F)(F)F)n1
InChIInChI=1S/C5H6F3N3S/c1-9-2-3-10-4(12-11-3)5(6,7)8/h9H,2H2,1H3
InChIKeyBVYMSQMYHMZHGY-UHFFFAOYSA-N
XLogP1.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine (CID 83959830) is N-methyl-1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine is CNCc1nsc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine?
The InChIKey is BVYMSQMYHMZHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3S/c1-9-2-3-10-4(12-11-3)5(6,7)8/h9H,2H2,1H3.
What are the key properties of N-methyl-1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine?
N-methyl-1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine has a molecular weight of 197.18 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methanamine is sourced from PubChem (CID 83959830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).