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

C16H19FN2O3S — CID 166259528

IUPACN-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCOCCN(CCOc1ccc(F)cc1)C(=O)c1ncsc1C
InChIInChI=1S/C16H19FN2O3S/c1-12-15(18-11-23-12)16(20)19(7-9-21-2)8-10-22-14-5-3-13(17)4-6-14/h3-6,11H,7-10H2,1-2H3
InChIKeyHPKKRFZPKWHGNR-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.76
Rot. Bonds8

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

N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 166259528) has the molecular formula C16H19FN2O3S and a molecular weight of 338.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID166259528
Molecular FormulaC16H19FN2O3S
Molecular Weight338.40 g/mol
Exact Mass338.11
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCOCCN(CCOc1ccc(F)cc1)C(=O)c1ncsc1C
InChIInChI=1S/C16H19FN2O3S/c1-12-15(18-11-23-12)16(20)19(7-9-21-2)8-10-22-14-5-3-13(17)4-6-14/h3-6,11H,7-10H2,1-2H3
InChIKeyHPKKRFZPKWHGNR-UHFFFAOYSA-N
XLogP2.76
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-5-methyl-1,3-thiazole-4-carboxamide (CID 166259528) is N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-5-methyl-1,3-thiazole-4-carboxamide is COCCN(CCOc1ccc(F)cc1)C(=O)c1ncsc1C.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is HPKKRFZPKWHGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3S/c1-12-15(18-11-23-12)16(20)19(7-9-21-2)8-10-22-14-5-3-13(17)4-6-14/h3-6,11H,7-10H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-5-methyl-1,3-thiazole-4-carboxamide?
N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 338.40 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166259528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).