1-(3-fluoro-4-pyridinyl)-N-methyl-1-(thiadiazol-4-yl)methanamine

C9H9FN4S — CID 105181850

IUPAC1-(3-fluoro-4-pyridinyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
SMILESCNC(c1csnn1)c1ccncc1F
InChIInChI=1S/C9H9FN4S/c1-11-9(8-5-15-14-13-8)6-2-3-12-4-7(6)10/h2-5,9,11H,1H3
InChIKeyFRSCMCBJGUUVRU-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.38
Rot. Bonds3

About 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(thiadiazol-4-yl)methanamine

1-(3-fluoro-4-pyridinyl)-N-methyl-1-(thiadiazol-4-yl)methanamine (PubChem CID 105181850) has the molecular formula C9H9FN4S and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(thiadiazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
PubChem CID105181850
Molecular FormulaC9H9FN4S
Molecular Weight224.26 g/mol
Exact Mass224.05
IUPAC Name1-(3-fluoro-4-pyridinyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
SMILESCNC(c1csnn1)c1ccncc1F
InChIInChI=1S/C9H9FN4S/c1-11-9(8-5-15-14-13-8)6-2-3-12-4-7(6)10/h2-5,9,11H,1H3
InChIKeyFRSCMCBJGUUVRU-UHFFFAOYSA-N
XLogP1.38
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluoro-4-pyridinyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105181971
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 104738299
1-(2,6-difluorophenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105149290
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
CID 104738640
1-(4-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105076130
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 105038078
1-(6-fluoro-1-benzothiophen-2-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 105038390
1-(3-fluoro-4-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783582
1-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 114025401
N-methyl-1-(thiadiazol-4-yl)-1-thiophen-3-ylmethanamine
CID 105153904
[(3-fluoro-4-pyridinyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105258630
1-(2,5-dimethylpyrazol-3-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 105182032

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(thiadiazol-4-yl)methanamine?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(thiadiazol-4-yl)methanamine (CID 105181850) is 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(thiadiazol-4-yl)methanamine.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(thiadiazol-4-yl)methanamine?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(thiadiazol-4-yl)methanamine is CNC(c1csnn1)c1ccncc1F.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(thiadiazol-4-yl)methanamine?
The InChIKey is FRSCMCBJGUUVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4S/c1-11-9(8-5-15-14-13-8)6-2-3-12-4-7(6)10/h2-5,9,11H,1H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(thiadiazol-4-yl)methanamine?
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(thiadiazol-4-yl)methanamine has a molecular weight of 224.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(thiadiazol-4-yl)methanamine is sourced from PubChem (CID 105181850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).