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

C11H19FN2S — CID 115748568

IUPAC3-fluoro-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCC(C)Cc1ncc(CNCCCF)s1
InChIInChI=1S/C11H19FN2S/c1-9(2)6-11-14-8-10(15-11)7-13-5-3-4-12/h8-9,13H,3-7H2,1-2H3
InChIKeyDHAURDUIXOYCEV-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.79
Rot. Bonds7

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

3-fluoro-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 115748568) has the molecular formula C11H19FN2S and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-fluoro-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID115748568
Molecular FormulaC11H19FN2S
Molecular Weight230.35 g/mol
Exact Mass230.13
IUPAC Name3-fluoro-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCC(C)Cc1ncc(CNCCCF)s1
InChIInChI=1S/C11H19FN2S/c1-9(2)6-11-14-8-10(15-11)7-13-5-3-4-12/h8-9,13H,3-7H2,1-2H3
InChIKeyDHAURDUIXOYCEV-UHFFFAOYSA-N
XLogP2.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.79
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 3-fluoro-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of 3-fluoro-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 115748568) is 3-fluoro-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 3-fluoro-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 3-fluoro-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CC(C)Cc1ncc(CNCCCF)s1.
What is the InChIKey of 3-fluoro-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is DHAURDUIXOYCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2S/c1-9(2)6-11-14-8-10(15-11)7-13-5-3-4-12/h8-9,13H,3-7H2,1-2H3.
What are the key properties of 3-fluoro-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
3-fluoro-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 115748568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).