N-[1-(4-fluorophenyl)pentyl]-1,3,4-thiadiazol-2-amine

C13H16FN3S — CID 107648562

IUPACN-[1-(4-fluorophenyl)pentyl]-1,3,4-thiadiazol-2-amine
SMILESCCCCC(Nc1nncs1)c1ccc(F)cc1
InChIInChI=1S/C13H16FN3S/c1-2-3-4-12(16-13-17-15-9-18-13)10-5-7-11(14)8-6-10/h5-9,12H,2-4H2,1H3,(H,16,17)
InChIKeyISIAHJSQHHMUAV-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.02
Rot. Bonds6

About N-[1-(4-fluorophenyl)pentyl]-1,3,4-thiadiazol-2-amine

N-[1-(4-fluorophenyl)pentyl]-1,3,4-thiadiazol-2-amine (PubChem CID 107648562) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)pentyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)pentyl]-1,3,4-thiadiazol-2-amine
PubChem CID107648562
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC NameN-[1-(4-fluorophenyl)pentyl]-1,3,4-thiadiazol-2-amine
SMILESCCCCC(Nc1nncs1)c1ccc(F)cc1
InChIInChI=1S/C13H16FN3S/c1-2-3-4-12(16-13-17-15-9-18-13)10-5-7-11(14)8-6-10/h5-9,12H,2-4H2,1H3,(H,16,17)
InChIKeyISIAHJSQHHMUAV-UHFFFAOYSA-N
XLogP4.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43105701
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
4-ethyl-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43097077
6-fluoro-N-[1-(4-fluorophenyl)pentyl]pyridin-2-amine
CID 116812935
3,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43099420
1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 43111233
1-(4-fluorophenyl)-N-methoxypentan-1-amine
CID 82706495
N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 103780964
1-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 61043720
5-bromo-2-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43555238
1-(4-fluorophenyl)undecylhydrazine
CID 105192861

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)pentyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-(4-fluorophenyl)pentyl]-1,3,4-thiadiazol-2-amine (CID 107648562) is N-[1-(4-fluorophenyl)pentyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)pentyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)pentyl]-1,3,4-thiadiazol-2-amine is CCCCC(Nc1nncs1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)pentyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ISIAHJSQHHMUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-2-3-4-12(16-13-17-15-9-18-13)10-5-7-11(14)8-6-10/h5-9,12H,2-4H2,1H3,(H,16,17).
What are the key properties of N-[1-(4-fluorophenyl)pentyl]-1,3,4-thiadiazol-2-amine?
N-[1-(4-fluorophenyl)pentyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 265.36 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)pentyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).