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

C8H8F3N5S — CID 80623707

IUPACN-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine
SMILESCNCc1nnc(-n2ccc(C(F)(F)F)n2)s1
InChIInChI=1S/C8H8F3N5S/c1-12-4-6-13-14-7(17-6)16-3-2-5(15-16)8(9,10)11/h2-3,12H,4H2,1H3
InChIKeyFYWWIFNYWAWSBN-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.46
Rot. Bonds3

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

N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine (PubChem CID 80623707) has the molecular formula C8H8F3N5S and a molecular weight of 263.25 g/mol. Its IUPAC name is N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine
PubChem CID80623707
Molecular FormulaC8H8F3N5S
Molecular Weight263.25 g/mol
Exact Mass263.05
IUPAC NameN-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine
SMILESCNCc1nnc(-n2ccc(C(F)(F)F)n2)s1
InChIInChI=1S/C8H8F3N5S/c1-12-4-6-13-14-7(17-6)16-3-2-5(15-16)8(9,10)11/h2-3,12H,4H2,1H3
InChIKeyFYWWIFNYWAWSBN-UHFFFAOYSA-N
XLogP1.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine (CID 80623707) is N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine is CNCc1nnc(-n2ccc(C(F)(F)F)n2)s1.
What is the InChIKey of N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine?
The InChIKey is FYWWIFNYWAWSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5S/c1-12-4-6-13-14-7(17-6)16-3-2-5(15-16)8(9,10)11/h2-3,12H,4H2,1H3.
What are the key properties of N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine?
N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine has a molecular weight of 263.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine is sourced from PubChem (CID 80623707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).