2-[(4-fluorophenoxy)methyl]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide

C17H21FN2O2S — CID 24624886

IUPAC2-[(4-fluorophenoxy)methyl]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
SMILESCCCCCNC(=O)c1sc(COc2ccc(F)cc2)nc1C
InChIInChI=1S/C17H21FN2O2S/c1-3-4-5-10-19-17(21)16-12(2)20-15(23-16)11-22-14-8-6-13(18)7-9-14/h6-9H,3-5,10-11H2,1-2H3,(H,19,21)
InChIKeyXDQRZEQZUFDLMP-UHFFFAOYSA-N
MW336.43 g/mol
LogP4.09
Rot. Bonds8

About 2-[(4-fluorophenoxy)methyl]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide

2-[(4-fluorophenoxy)methyl]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide (PubChem CID 24624886) has the molecular formula C17H21FN2O2S and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
PubChem CID24624886
Molecular FormulaC17H21FN2O2S
Molecular Weight336.43 g/mol
Exact Mass336.13
IUPAC Name2-[(4-fluorophenoxy)methyl]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
SMILESCCCCCNC(=O)c1sc(COc2ccc(F)cc2)nc1C
InChIInChI=1S/C17H21FN2O2S/c1-3-4-5-10-19-17(21)16-12(2)20-15(23-16)11-22-14-8-6-13(18)7-9-14/h6-9H,3-5,10-11H2,1-2H3,(H,19,21)
InChIKeyXDQRZEQZUFDLMP-UHFFFAOYSA-N
XLogP4.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 54.09
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 2-[(4-fluorophenoxy)methyl]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide (CID 24624886) is 2-[(4-fluorophenoxy)methyl]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide is CCCCCNC(=O)c1sc(COc2ccc(F)cc2)nc1C.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide?
The InChIKey is XDQRZEQZUFDLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2S/c1-3-4-5-10-19-17(21)16-12(2)20-15(23-16)11-22-14-8-6-13(18)7-9-14/h6-9H,3-5,10-11H2,1-2H3,(H,19,21).
What are the key properties of 2-[(4-fluorophenoxy)methyl]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide?
2-[(4-fluorophenoxy)methyl]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24624886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).