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

C10H8F3N3S — CID 65273910

IUPACN-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1ccc(CNc2ncns2)cc1
InChIInChI=1S/C10H8F3N3S/c11-10(12,13)8-3-1-7(2-4-8)5-14-9-15-6-16-17-9/h1-4,6H,5H2,(H,14,15,16)
InChIKeyRBWOUOMIQBWODO-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.17
Rot. Bonds3

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

N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65273910) has the molecular formula C10H8F3N3S and a molecular weight of 259.26 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine
PubChem CID65273910
Molecular FormulaC10H8F3N3S
Molecular Weight259.26 g/mol
Exact Mass259.04
IUPAC NameN-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1ccc(CNc2ncns2)cc1
InChIInChI=1S/C10H8F3N3S/c11-10(12,13)8-3-1-7(2-4-8)5-14-9-15-6-16-17-9/h1-4,6H,5H2,(H,14,15,16)
InChIKeyRBWOUOMIQBWODO-UHFFFAOYSA-N
XLogP3.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine (CID 65273910) is N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine is FC(F)(F)c1ccc(CNc2ncns2)cc1.
What is the InChIKey of N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is RBWOUOMIQBWODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3S/c11-10(12,13)8-3-1-7(2-4-8)5-14-9-15-6-16-17-9/h1-4,6H,5H2,(H,14,15,16).
What are the key properties of N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine?
N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 259.26 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65273910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).