N-[2-(4-fluorophenoxy)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C14H15FN2O2S — CID 30349632

IUPACN-[2-(4-fluorophenoxy)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCOc2ccc(F)cc2)s1
InChIInChI=1S/C14H15FN2O2S/c1-9-13(20-10(2)17-9)14(18)16-7-8-19-12-5-3-11(15)4-6-12/h3-6H,7-8H2,1-2H3,(H,16,18)
InChIKeyDBYMPLGZVZSFJG-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.71
Rot. Bonds5

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

N-[2-(4-fluorophenoxy)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 30349632) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID30349632
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCCOc2ccc(F)cc2)s1
InChIInChI=1S/C14H15FN2O2S/c1-9-13(20-10(2)17-9)14(18)16-7-8-19-12-5-3-11(15)4-6-12/h3-6H,7-8H2,1-2H3,(H,16,18)
InChIKeyDBYMPLGZVZSFJG-UHFFFAOYSA-N
XLogP2.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.71
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 N-[2-(4-fluorophenoxy)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 30349632) is N-[2-(4-fluorophenoxy)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCCOc2ccc(F)cc2)s1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is DBYMPLGZVZSFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-9-13(20-10(2)17-9)14(18)16-7-8-19-12-5-3-11(15)4-6-12/h3-6H,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[2-(4-fluorophenoxy)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30349632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).