N-[(2,5-difluorophenyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C10H6F5N3S — CID 107304955

IUPACN-[(2,5-difluorophenyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFc1ccc(F)c(CNc2nc(C(F)(F)F)ns2)c1
InChIInChI=1S/C10H6F5N3S/c11-6-1-2-7(12)5(3-6)4-16-9-17-8(18-19-9)10(13,14)15/h1-3H,4H2,(H,16,17,18)
InChIKeyUCYZZMZLUFGFFB-UHFFFAOYSA-N
MW295.24 g/mol
LogP3.45
Rot. Bonds3

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

N-[(2,5-difluorophenyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304955) has the molecular formula C10H6F5N3S and a molecular weight of 295.24 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304955
Molecular FormulaC10H6F5N3S
Molecular Weight295.24 g/mol
Exact Mass295.02
IUPAC NameN-[(2,5-difluorophenyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFc1ccc(F)c(CNc2nc(C(F)(F)F)ns2)c1
InChIInChI=1S/C10H6F5N3S/c11-6-1-2-7(12)5(3-6)4-16-9-17-8(18-19-9)10(13,14)15/h1-3H,4H2,(H,16,17,18)
InChIKeyUCYZZMZLUFGFFB-UHFFFAOYSA-N
XLogP3.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-N-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65270918
N-[(4-methylthiophen-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305049
N-[2-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304676
N-[(2-fluoro-5-methylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 115924904
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304769
N-[(2-bromo-5-fluorophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65271474
5-N-[(2-bromo-5-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine
CID 66281183
N-[(2-methylpyrimidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304782
2-chloro-N-[(2,5-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562635
N-[(2,4-difluorophenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65276858
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107304692
2-[2-[(2,5-difluorophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 80576016

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304955) is N-[(2,5-difluorophenyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is Fc1ccc(F)c(CNc2nc(C(F)(F)F)ns2)c1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is UCYZZMZLUFGFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F5N3S/c11-6-1-2-7(12)5(3-6)4-16-9-17-8(18-19-9)10(13,14)15/h1-3H,4H2,(H,16,17,18).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[(2,5-difluorophenyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 295.24 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).