1-(3-fluoro-5-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine

C11H12FN3S — CID 105170095

IUPAC1-(3-fluoro-5-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
SMILESCNC(c1cc(C)cc(F)c1)c1cnns1
InChIInChI=1S/C11H12FN3S/c1-7-3-8(5-9(12)4-7)11(13-2)10-6-14-15-16-10/h3-6,11,13H,1-2H3
InChIKeyGUBYVXHJWDVODZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.29
Rot. Bonds3

About 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine

1-(3-fluoro-5-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine (PubChem CID 105170095) has the molecular formula C11H12FN3S and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
PubChem CID105170095
Molecular FormulaC11H12FN3S
Molecular Weight237.30 g/mol
Exact Mass237.07
IUPAC Name1-(3-fluoro-5-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
SMILESCNC(c1cc(C)cc(F)c1)c1cnns1
InChIInChI=1S/C11H12FN3S/c1-7-3-8(5-9(12)4-7)11(13-2)10-6-14-15-16-10/h3-6,11,13H,1-2H3
InChIKeyGUBYVXHJWDVODZ-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

1-(5-fluoro-3-pyridinyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105102667
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105143087
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105142882
1-(2,5-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105120600
1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 107515323
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 106682307
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 79704486
1-(3-fluoro-5-methylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 105016633
1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114730411
N-[(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methyl]ethanamine
CID 106883667
1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79704481
N-methyl-1-(4-methylfuran-3-yl)-1-(thiadiazol-5-yl)methanamine
CID 130848665

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine (CID 105170095) is 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine is CNC(c1cc(C)cc(F)c1)c1cnns1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine?
The InChIKey is GUBYVXHJWDVODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S/c1-7-3-8(5-9(12)4-7)11(13-2)10-6-14-15-16-10/h3-6,11,13H,1-2H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine?
1-(3-fluoro-5-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-(3-fluoro-5-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine is sourced from PubChem (CID 105170095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).