3-fluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine

C11H13FN2S2 — CID 115732902

IUPAC3-fluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESFCCCNCc1csc(-c2ccsc2)n1
InChIInChI=1S/C11H13FN2S2/c12-3-1-4-13-6-10-8-16-11(14-10)9-2-5-15-7-9/h2,5,7-8,13H,1,3-4,6H2
InChIKeyJQBHVLSRRMIJTA-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.32
Rot. Bonds6

About 3-fluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine

3-fluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine (PubChem CID 115732902) has the molecular formula C11H13FN2S2 and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-fluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
PubChem CID115732902
Molecular FormulaC11H13FN2S2
Molecular Weight256.37 g/mol
Exact Mass256.05
IUPAC Name3-fluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESFCCCNCc1csc(-c2ccsc2)n1
InChIInChI=1S/C11H13FN2S2/c12-3-1-4-13-6-10-8-16-11(14-10)9-2-5-15-7-9/h2,5,7-8,13H,1,3-4,6H2
InChIKeyJQBHVLSRRMIJTA-UHFFFAOYSA-N
XLogP3.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-fluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine (CID 115732902) is 3-fluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-fluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-fluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine is FCCCNCc1csc(-c2ccsc2)n1.
What is the InChIKey of 3-fluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The InChIKey is JQBHVLSRRMIJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2S2/c12-3-1-4-13-6-10-8-16-11(14-10)9-2-5-15-7-9/h2,5,7-8,13H,1,3-4,6H2.
What are the key properties of 3-fluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine?
3-fluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine has a molecular weight of 256.37 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 115732902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).