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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Related Compounds

3-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
CID 62881850
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine;dihydrochloride
CID 71432458
4-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine
CID 103361077
2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine
CID 80652487
5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 114600577
5-[[4-(trifluoromethyl)phenyl]methoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-benzothiazol-3-amine
CID 171594861
6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66328025
3-chloro-2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 107057599
2,6-dichloro-4-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 83078179
N-[(5-methylthiophen-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65277074
1-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 155032671

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).