N-[1-(4-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine

C10H10FN3S — CID 65276833

IUPACN-[1-(4-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1ncns1)c1ccc(F)cc1
InChIInChI=1S/C10H10FN3S/c1-7(14-10-12-6-13-15-10)8-2-4-9(11)5-3-8/h2-7H,1H3,(H,12,13,14)
InChIKeyNXTPSDOQFGONLU-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.85
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine

N-[1-(4-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65276833) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID65276833
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1ncns1)c1ccc(F)cc1
InChIInChI=1S/C10H10FN3S/c1-7(14-10-12-6-13-15-10)8-2-4-9(11)5-3-8/h2-7H,1H3,(H,12,13,14)
InChIKeyNXTPSDOQFGONLU-UHFFFAOYSA-N
XLogP2.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65277166
3-tert-butyl-N-[1-(4-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65276781
5-bromo-N-[1-(4-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64624917
N-[1-(4-fluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982704
N-[1-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 13038313
N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine
CID 60631879
N-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62960002
N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60726849
5-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79718989
4-chloro-N-[1-(4-fluorophenyl)ethyl]-1,2,5-thiadiazol-3-amine
CID 60726154
N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43179245
6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 79525971

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine (CID 65276833) is N-[1-(4-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine is CC(Nc1ncns1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is NXTPSDOQFGONLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c1-7(14-10-12-6-13-15-10)8-2-4-9(11)5-3-8/h2-7H,1H3,(H,12,13,14).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine?
N-[1-(4-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 223.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).