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

C14H15FN2O3S — CID 24712829

IUPAC2-[(4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
SMILESCOCCNC(=O)c1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C14H15FN2O3S/c1-19-7-6-16-14(18)12-9-21-13(17-12)8-20-11-4-2-10(15)3-5-11/h2-5,9H,6-8H2,1H3,(H,16,18)
InChIKeyMRHZQZFZYOFXQN-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.24
Rot. Bonds7

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

2-[(4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide (PubChem CID 24712829) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
PubChem CID24712829
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name2-[(4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
SMILESCOCCNC(=O)c1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C14H15FN2O3S/c1-19-7-6-16-14(18)12-9-21-13(17-12)8-20-11-4-2-10(15)3-5-11/h2-5,9H,6-8H2,1H3,(H,16,18)
InChIKeyMRHZQZFZYOFXQN-UHFFFAOYSA-N
XLogP2.24
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide (CID 24712829) is 2-[(4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide is COCCNC(=O)c1csc(COc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MRHZQZFZYOFXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-19-7-6-16-14(18)12-9-21-13(17-12)8-20-11-4-2-10(15)3-5-11/h2-5,9H,6-8H2,1H3,(H,16,18).
What are the key properties of 2-[(4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide?
2-[(4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24712829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).