N-[(2-fluoro-5-methylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine

C11H12FN3S — CID 115924904

IUPACN-[(2-fluoro-5-methylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1ccc(F)c(CNc2nc(C)ns2)c1
InChIInChI=1S/C11H12FN3S/c1-7-3-4-10(12)9(5-7)6-13-11-14-8(2)15-16-11/h3-5H,6H2,1-2H3,(H,13,14,15)
InChIKeyOAIYBCIRGHPNQF-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.91
Rot. Bonds3

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

N-[(2-fluoro-5-methylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 115924904) has the molecular formula C11H12FN3S and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID115924904
Molecular FormulaC11H12FN3S
Molecular Weight237.30 g/mol
Exact Mass237.07
IUPAC NameN-[(2-fluoro-5-methylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1ccc(F)c(CNc2nc(C)ns2)c1
InChIInChI=1S/C11H12FN3S/c1-7-3-4-10(12)9(5-7)6-13-11-14-8(2)15-16-11/h3-5H,6H2,1-2H3,(H,13,14,15)
InChIKeyOAIYBCIRGHPNQF-UHFFFAOYSA-N
XLogP2.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 115924876
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267667
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65268042
N-[(2,5-difluorophenyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304955
4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053753
3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053885
N-[(2-fluoro-5-methylphenyl)methyl]-5-methylpyridin-3-amine
CID 103824043
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053971
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
N-[(2-fluoro-5-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 103674230
3-tert-butyl-N-[(2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65270918

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 115924904) is N-[(2-fluoro-5-methylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1ccc(F)c(CNc2nc(C)ns2)c1.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is OAIYBCIRGHPNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S/c1-7-3-4-10(12)9(5-7)6-13-11-14-8(2)15-16-11/h3-5H,6H2,1-2H3,(H,13,14,15).
What are the key properties of N-[(2-fluoro-5-methylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[(2-fluoro-5-methylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 237.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 115924904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).