4-[(3-fluoro-N-methylanilino)methyl]thiadiazol-5-amine

C10H11FN4S — CID 62209276

IUPAC4-[(3-fluoro-N-methylanilino)methyl]thiadiazol-5-amine
SMILESCN(Cc1nnsc1N)c1cccc(F)c1
InChIInChI=1S/C10H11FN4S/c1-15(6-9-10(12)16-14-13-9)8-4-2-3-7(11)5-8/h2-5H,6,12H2,1H3
InChIKeyVFZHWRFUSOPVMQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.90
Rot. Bonds3

About 4-[(3-fluoro-N-methylanilino)methyl]thiadiazol-5-amine

4-[(3-fluoro-N-methylanilino)methyl]thiadiazol-5-amine (PubChem CID 62209276) has the molecular formula C10H11FN4S and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[(3-fluoro-N-methylanilino)methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(3-fluoro-N-methylanilino)methyl]thiadiazol-5-amine
PubChem CID62209276
Molecular FormulaC10H11FN4S
Molecular Weight238.29 g/mol
Exact Mass238.07
IUPAC Name4-[(3-fluoro-N-methylanilino)methyl]thiadiazol-5-amine
SMILESCN(Cc1nnsc1N)c1cccc(F)c1
InChIInChI=1S/C10H11FN4S/c1-15(6-9-10(12)16-14-13-9)8-4-2-3-7(11)5-8/h2-5H,6,12H2,1H3
InChIKeyVFZHWRFUSOPVMQ-UHFFFAOYSA-N
XLogP1.90
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-[(N-ethyl-3-fluoroanilino)methyl]thiadiazol-5-amine
CID 62208555
4-[(N-ethylanilino)methyl]thiadiazol-5-amine
CID 62184634
5-[(3-fluoro-N-methylanilino)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80606202
N-(chloromethyl)-3-fluoro-N-methylaniline
CID 115262926
2-[2-(3-fluoro-N-methylanilino)ethyl]aniline
CID 62496077
6-[(3-fluoro-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 79243204
5-fluoro-2-[(3-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 76994464
2-fluoro-5-[(3-fluoro-N-methylanilino)methyl]benzenecarbothioamide
CID 107879346
1-(3-fluorophenyl)-1-methylhydrazine
CID 53400268
3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]benzonitrile
CID 62982980
N-[(4-chloro-2-pyridinyl)methyl]-3-fluoro-N-methylaniline
CID 79255179
2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol
CID 112616216

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-N-methylanilino)methyl]thiadiazol-5-amine?
The IUPAC name of 4-[(3-fluoro-N-methylanilino)methyl]thiadiazol-5-amine (CID 62209276) is 4-[(3-fluoro-N-methylanilino)methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(3-fluoro-N-methylanilino)methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(3-fluoro-N-methylanilino)methyl]thiadiazol-5-amine is CN(Cc1nnsc1N)c1cccc(F)c1.
What is the InChIKey of 4-[(3-fluoro-N-methylanilino)methyl]thiadiazol-5-amine?
The InChIKey is VFZHWRFUSOPVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4S/c1-15(6-9-10(12)16-14-13-9)8-4-2-3-7(11)5-8/h2-5H,6,12H2,1H3.
What are the key properties of 4-[(3-fluoro-N-methylanilino)methyl]thiadiazol-5-amine?
4-[(3-fluoro-N-methylanilino)methyl]thiadiazol-5-amine has a molecular weight of 238.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-N-methylanilino)methyl]thiadiazol-5-amine is sourced from PubChem (CID 62209276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).