1-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine

C11H12FN3S — CID 105142882

IUPAC1-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
SMILESCNC(c1cnns1)c1ccc(F)cc1C
InChIInChI=1S/C11H12FN3S/c1-7-5-8(12)3-4-9(7)11(13-2)10-6-14-15-16-10/h3-6,11,13H,1-2H3
InChIKeyHNYKDAYNPUJHPL-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.29
Rot. Bonds3

About 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine

1-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine (PubChem CID 105142882) has the molecular formula C11H12FN3S and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
PubChem CID105142882
Molecular FormulaC11H12FN3S
Molecular Weight237.30 g/mol
Exact Mass237.07
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
SMILESCNC(c1cnns1)c1ccc(F)cc1C
InChIInChI=1S/C11H12FN3S/c1-7-5-8(12)3-4-9(7)11(13-2)10-6-14-15-16-10/h3-6,11,13H,1-2H3
InChIKeyHNYKDAYNPUJHPL-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(4-fluoro-2-methylphenyl)-(thiadiazol-5-yl)methyl]hydrazine
CID 105302396
1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 107515323
1-(2,5-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105120600
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)ethanamine
CID 105188368
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81276459
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105143087
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105170095
N-methyl-1-(4-methylfuran-3-yl)-1-(thiadiazol-5-yl)methanamine
CID 130848665
1-(6-fluoro-1-benzothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852529
1-(5-fluoro-3-pyridinyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105102667
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
CID 62135503
1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852431

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine (CID 105142882) is 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine is CNC(c1cnns1)c1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine?
The InChIKey is HNYKDAYNPUJHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S/c1-7-5-8(12)3-4-9(7)11(13-2)10-6-14-15-16-10/h3-6,11,13H,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine?
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine has a molecular weight of 237.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine is sourced from PubChem (CID 105142882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).