N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine

C14H17FN2S — CID 62388775

IUPACN-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1csc(-c2cc(F)ccc2C)n1
InChIInChI=1S/C14H17FN2S/c1-3-6-16-8-12-9-18-14(17-12)13-7-11(15)5-4-10(13)2/h4-5,7,9,16H,3,6,8H2,1-2H3
InChIKeyXJZGQYBWVZYNKX-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.76
Rot. Bonds5

About N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine

N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine (PubChem CID 62388775) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
PubChem CID62388775
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC NameN-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1csc(-c2cc(F)ccc2C)n1
InChIInChI=1S/C14H17FN2S/c1-3-6-16-8-12-9-18-14(17-12)13-7-11(15)5-4-10(13)2/h4-5,7,9,16H,3,6,8H2,1-2H3
InChIKeyXJZGQYBWVZYNKX-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine (CID 62388775) is N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine is CCCNCc1csc(-c2cc(F)ccc2C)n1.
What is the InChIKey of N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The InChIKey is XJZGQYBWVZYNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-3-6-16-8-12-9-18-14(17-12)13-7-11(15)5-4-10(13)2/h4-5,7,9,16H,3,6,8H2,1-2H3.
What are the key properties of N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62388775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).