N-[4-(2-ethoxy-4-pyridinyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide

C18H16FN3O2S — CID 24831839

IUPACN-[4-(2-ethoxy-4-pyridinyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide
SMILESCCOc1cc(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)ccn1
InChIInChI=1S/C18H16FN3O2S/c1-2-24-17-10-13(7-8-20-17)15-11-25-18(21-15)22-16(23)9-12-3-5-14(19)6-4-12/h3-8,10-11H,2,9H2,1H3,(H,21,22,23)
InChIKeyORXHSWKGGQVOGK-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.92
Rot. Bonds6

About N-[4-(2-ethoxy-4-pyridinyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide

N-[4-(2-ethoxy-4-pyridinyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 24831839) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[4-(2-ethoxy-4-pyridinyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-ethoxy-4-pyridinyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide
PubChem CID24831839
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC NameN-[4-(2-ethoxy-4-pyridinyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide
SMILESCCOc1cc(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)ccn1
InChIInChI=1S/C18H16FN3O2S/c1-2-24-17-10-13(7-8-20-17)15-11-25-18(21-15)22-16(23)9-12-3-5-14(19)6-4-12/h3-8,10-11H,2,9H2,1H3,(H,21,22,23)
InChIKeyORXHSWKGGQVOGK-UHFFFAOYSA-N
XLogP3.92
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethoxy-4-pyridinyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[4-(2-ethoxy-4-pyridinyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide (CID 24831839) is N-[4-(2-ethoxy-4-pyridinyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-(2-ethoxy-4-pyridinyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[4-(2-ethoxy-4-pyridinyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide is CCOc1cc(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)ccn1.
What is the InChIKey of N-[4-(2-ethoxy-4-pyridinyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is ORXHSWKGGQVOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-2-24-17-10-13(7-8-20-17)15-11-25-18(21-15)22-16(23)9-12-3-5-14(19)6-4-12/h3-8,10-11H,2,9H2,1H3,(H,21,22,23).
What are the key properties of N-[4-(2-ethoxy-4-pyridinyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide?
N-[4-(2-ethoxy-4-pyridinyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 357.41 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethoxy-4-pyridinyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 24831839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).