5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine

C11H12FN3S — CID 103360091

IUPAC5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCC(Nc1cc(N)ns1)c1cccc(F)c1
InChIInChI=1S/C11H12FN3S/c1-7(8-3-2-4-9(12)5-8)14-11-6-10(13)15-16-11/h2-7,14H,1H3,(H2,13,15)
InChIKeyNFDUNRIXANWTFR-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.04
Rot. Bonds3

About 5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine

5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103360091) has the molecular formula C11H12FN3S and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103360091
Molecular FormulaC11H12FN3S
Molecular Weight237.30 g/mol
Exact Mass237.07
IUPAC Name5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCC(Nc1cc(N)ns1)c1cccc(F)c1
InChIInChI=1S/C11H12FN3S/c1-7(8-3-2-4-9(12)5-8)14-11-6-10(13)15-16-11/h2-7,14H,1H3,(H2,13,15)
InChIKeyNFDUNRIXANWTFR-UHFFFAOYSA-N
XLogP3.04
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine (CID 103360091) is 5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine is CC(Nc1cc(N)ns1)c1cccc(F)c1.
What is the InChIKey of 5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is NFDUNRIXANWTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S/c1-7(8-3-2-4-9(12)5-8)14-11-6-10(13)15-16-11/h2-7,14H,1H3,(H2,13,15).
What are the key properties of 5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine?
5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 237.30 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(3-fluorophenyl)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).