2-(N-ethyl-4-fluoroanilino)-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazol-4-one

C18H18FN3O2S — CID 11552223

IUPAC2-(N-ethyl-4-fluoroanilino)-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazol-4-one
SMILESCCN(C1=NC(=O)C(C)(c2ccnc(OC)c2)S1)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O2S/c1-4-22(14-7-5-13(19)6-8-14)17-21-16(23)18(2,25-17)12-9-10-20-15(11-12)24-3/h5-11H,4H2,1-3H3
InChIKeyHZFDCVSUBPBCCC-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.60
Rot. Bonds4

About 2-(N-ethyl-4-fluoroanilino)-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazol-4-one

2-(N-ethyl-4-fluoroanilino)-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazol-4-one (PubChem CID 11552223) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(N-ethyl-4-fluoroanilino)-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(N-ethyl-4-fluoroanilino)-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazol-4-one
PubChem CID11552223
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name2-(N-ethyl-4-fluoroanilino)-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazol-4-one
SMILESCCN(C1=NC(=O)C(C)(c2ccnc(OC)c2)S1)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O2S/c1-4-22(14-7-5-13(19)6-8-14)17-21-16(23)18(2,25-17)12-9-10-20-15(11-12)24-3/h5-11H,4H2,1-3H3
InChIKeyHZFDCVSUBPBCCC-UHFFFAOYSA-N
XLogP3.60
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-4-fluoroanilino)-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazol-4-one?
The IUPAC name of 2-(N-ethyl-4-fluoroanilino)-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazol-4-one (CID 11552223) is 2-(N-ethyl-4-fluoroanilino)-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazol-4-one.
What is the SMILES notation for 2-(N-ethyl-4-fluoroanilino)-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazol-4-one?
The canonical SMILES for 2-(N-ethyl-4-fluoroanilino)-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazol-4-one is CCN(C1=NC(=O)C(C)(c2ccnc(OC)c2)S1)c1ccc(F)cc1.
What is the InChIKey of 2-(N-ethyl-4-fluoroanilino)-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazol-4-one?
The InChIKey is HZFDCVSUBPBCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-4-22(14-7-5-13(19)6-8-14)17-21-16(23)18(2,25-17)12-9-10-20-15(11-12)24-3/h5-11H,4H2,1-3H3.
What are the key properties of 2-(N-ethyl-4-fluoroanilino)-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazol-4-one?
2-(N-ethyl-4-fluoroanilino)-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazol-4-one has a molecular weight of 359.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-4-fluoroanilino)-5-(2-methoxy-4-pyridinyl)-5-methyl-1,3-thiazol-4-one is sourced from PubChem (CID 11552223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).