(5S)-2-[(2R)-2-(4-fluorophenyl)propyl]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-one

C18H17FN2O2S — CID 58048097

IUPAC(5S)-2-[(2R)-2-(4-fluorophenyl)propyl]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-one
SMILESCOc1cc([C@@H]2SC(C[C@@H](C)c3ccc(F)cc3)=NC2=O)ccn1
InChIInChI=1S/C18H17FN2O2S/c1-11(12-3-5-14(19)6-4-12)9-16-21-18(22)17(24-16)13-7-8-20-15(10-13)23-2/h3-8,10-11,17H,9H2,1-2H3/t11-,17+/m1/s1
InChIKeyNGLAZDFIJGIGSB-DIFFPNOSSA-N
MW344.41 g/mol
LogP4.14
Rot. Bonds5

About (5S)-2-[(2R)-2-(4-fluorophenyl)propyl]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-one

(5S)-2-[(2R)-2-(4-fluorophenyl)propyl]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-one (PubChem CID 58048097) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is (5S)-2-[(2R)-2-(4-fluorophenyl)propyl]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5S)-2-[(2R)-2-(4-fluorophenyl)propyl]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-one
PubChem CID58048097
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name(5S)-2-[(2R)-2-(4-fluorophenyl)propyl]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-one
SMILESCOc1cc([C@@H]2SC(C[C@@H](C)c3ccc(F)cc3)=NC2=O)ccn1
InChIInChI=1S/C18H17FN2O2S/c1-11(12-3-5-14(19)6-4-12)9-16-21-18(22)17(24-16)13-7-8-20-15(10-13)23-2/h3-8,10-11,17H,9H2,1-2H3/t11-,17+/m1/s1
InChIKeyNGLAZDFIJGIGSB-DIFFPNOSSA-N
XLogP4.14
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-[(2R)-2-(4-fluorophenyl)propyl]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-one?
The IUPAC name of (5S)-2-[(2R)-2-(4-fluorophenyl)propyl]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-one (CID 58048097) is (5S)-2-[(2R)-2-(4-fluorophenyl)propyl]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-one.
What is the SMILES notation for (5S)-2-[(2R)-2-(4-fluorophenyl)propyl]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-one?
The canonical SMILES for (5S)-2-[(2R)-2-(4-fluorophenyl)propyl]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-one is COc1cc([C@@H]2SC(C[C@@H](C)c3ccc(F)cc3)=NC2=O)ccn1.
What is the InChIKey of (5S)-2-[(2R)-2-(4-fluorophenyl)propyl]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-one?
The InChIKey is NGLAZDFIJGIGSB-DIFFPNOSSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-11(12-3-5-14(19)6-4-12)9-16-21-18(22)17(24-16)13-7-8-20-15(10-13)23-2/h3-8,10-11,17H,9H2,1-2H3/t11-,17+/m1/s1.
What are the key properties of (5S)-2-[(2R)-2-(4-fluorophenyl)propyl]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-one?
(5S)-2-[(2R)-2-(4-fluorophenyl)propyl]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-one has a molecular weight of 344.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[(2R)-2-(4-fluorophenyl)propyl]-5-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-one is sourced from PubChem (CID 58048097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).