N-[[4-ethyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine

C14H17FN2S — CID 113459625

IUPACN-[[4-ethyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccccc2F)nc1CC
InChIInChI=1S/C14H17FN2S/c1-3-12-13(9-16-4-2)18-14(17-12)10-7-5-6-8-11(10)15/h5-8,16H,3-4,9H2,1-2H3
InChIKeySUUVMBOZABIGRD-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.62
Rot. Bonds5

About N-[[4-ethyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[4-ethyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 113459625) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[4-ethyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID113459625
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC NameN-[[4-ethyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccccc2F)nc1CC
InChIInChI=1S/C14H17FN2S/c1-3-12-13(9-16-4-2)18-14(17-12)10-7-5-6-8-11(10)15/h5-8,16H,3-4,9H2,1-2H3
InChIKeySUUVMBOZABIGRD-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-ethyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 113459625) is N-[[4-ethyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-ethyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-ethyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(-c2ccccc2F)nc1CC.
What is the InChIKey of N-[[4-ethyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is SUUVMBOZABIGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-3-12-13(9-16-4-2)18-14(17-12)10-7-5-6-8-11(10)15/h5-8,16H,3-4,9H2,1-2H3.
What are the key properties of N-[[4-ethyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-ethyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 264.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 113459625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).