3-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-amine

C12H13FN2S — CID 90980920

IUPAC3-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-amine
SMILESNCCC(c1ccc(F)cc1)c1nccs1
InChIInChI=1S/C12H13FN2S/c13-10-3-1-9(2-4-10)11(5-6-14)12-15-7-8-16-12/h1-4,7-8,11H,5-6,14H2
InChIKeyAHNYNERSDPIYIR-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.76
Rot. Bonds4

About 3-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-amine

3-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 90980920) has the molecular formula C12H13FN2S and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID90980920
Molecular FormulaC12H13FN2S
Molecular Weight236.32 g/mol
Exact Mass236.08
IUPAC Name3-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-amine
SMILESNCCC(c1ccc(F)cc1)c1nccs1
InChIInChI=1S/C12H13FN2S/c13-10-3-1-9(2-4-10)11(5-6-14)12-15-7-8-16-12/h1-4,7-8,11H,5-6,14H2
InChIKeyAHNYNERSDPIYIR-UHFFFAOYSA-N
XLogP2.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-amine (CID 90980920) is 3-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-amine is NCCC(c1ccc(F)cc1)c1nccs1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is AHNYNERSDPIYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c13-10-3-1-9(2-4-10)11(5-6-14)12-15-7-8-16-12/h1-4,7-8,11H,5-6,14H2.
What are the key properties of 3-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-amine?
3-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 236.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 90980920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).