2-(4-fluorophenyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide

C15H17FN2O3S — CID 78874119

IUPAC2-(4-fluorophenyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
SMILESCOCCOCCNC(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN2O3S/c1-20-8-9-21-7-6-17-14(19)13-10-22-15(18-13)11-2-4-12(16)5-3-11/h2-5,10H,6-9H2,1H3,(H,17,19)
InChIKeyZKZMGYYBNQMHTQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.34
Rot. Bonds8

About 2-(4-fluorophenyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide

2-(4-fluorophenyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 78874119) has the molecular formula C15H17FN2O3S and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID78874119
Molecular FormulaC15H17FN2O3S
Molecular Weight324.38 g/mol
Exact Mass324.09
IUPAC Name2-(4-fluorophenyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
SMILESCOCCOCCNC(=O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN2O3S/c1-20-8-9-21-7-6-17-14(19)13-10-22-15(18-13)11-2-4-12(16)5-3-11/h2-5,10H,6-9H2,1H3,(H,17,19)
InChIKeyZKZMGYYBNQMHTQ-UHFFFAOYSA-N
XLogP2.34
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.34
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-fluorophenyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide (CID 78874119) is 2-(4-fluorophenyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide is COCCOCCNC(=O)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZKZMGYYBNQMHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3S/c1-20-8-9-21-7-6-17-14(19)13-10-22-15(18-13)11-2-4-12(16)5-3-11/h2-5,10H,6-9H2,1H3,(H,17,19).
What are the key properties of 2-(4-fluorophenyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide?
2-(4-fluorophenyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 78874119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).