3-fluoro-3-(1,2-thiazol-3-yl)propan-1-amine

C6H9FN2S — CID 126985742

IUPAC3-fluoro-3-(1,2-thiazol-3-yl)propan-1-amine
SMILESNCCC(F)c1ccsn1
InChIInChI=1S/C6H9FN2S/c7-5(1-3-8)6-2-4-10-9-6/h2,4-5H,1,3,8H2
InChIKeyLJCPEICXGVMDLB-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.50
Rot. Bonds3

About 3-fluoro-3-(1,2-thiazol-3-yl)propan-1-amine

3-fluoro-3-(1,2-thiazol-3-yl)propan-1-amine (PubChem CID 126985742) has the molecular formula C6H9FN2S and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-fluoro-3-(1,2-thiazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(1,2-thiazol-3-yl)propan-1-amine
PubChem CID126985742
Molecular FormulaC6H9FN2S
Molecular Weight160.22 g/mol
Exact Mass160.05
IUPAC Name3-fluoro-3-(1,2-thiazol-3-yl)propan-1-amine
SMILESNCCC(F)c1ccsn1
InChIInChI=1S/C6H9FN2S/c7-5(1-3-8)6-2-4-10-9-6/h2,4-5H,1,3,8H2
InChIKeyLJCPEICXGVMDLB-UHFFFAOYSA-N
XLogP1.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(1,2-thiazol-3-yl)propan-1-amine?
The IUPAC name of 3-fluoro-3-(1,2-thiazol-3-yl)propan-1-amine (CID 126985742) is 3-fluoro-3-(1,2-thiazol-3-yl)propan-1-amine.
What is the SMILES notation for 3-fluoro-3-(1,2-thiazol-3-yl)propan-1-amine?
The canonical SMILES for 3-fluoro-3-(1,2-thiazol-3-yl)propan-1-amine is NCCC(F)c1ccsn1.
What is the InChIKey of 3-fluoro-3-(1,2-thiazol-3-yl)propan-1-amine?
The InChIKey is LJCPEICXGVMDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2S/c7-5(1-3-8)6-2-4-10-9-6/h2,4-5H,1,3,8H2.
What are the key properties of 3-fluoro-3-(1,2-thiazol-3-yl)propan-1-amine?
3-fluoro-3-(1,2-thiazol-3-yl)propan-1-amine has a molecular weight of 160.22 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(1,2-thiazol-3-yl)propan-1-amine is sourced from PubChem (CID 126985742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).