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

C20H19FN2O2S — CID 58255200

IUPAC(4S)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-(5-methoxy-2-pyridinyl)pentan-2-one
SMILESCOc1ccc([C@@H](C)CC(=O)Cc2csc(-c3ccc(F)cc3)n2)nc1
InChIInChI=1S/C20H19FN2O2S/c1-13(19-8-7-18(25-2)11-22-19)9-17(24)10-16-12-26-20(23-16)14-3-5-15(21)6-4-14/h3-8,11-13H,9-10H2,1-2H3/t13-/m0/s1
InChIKeyZMZKLEAJUXJUHY-ZDUSSCGKSA-N
MW370.45 g/mol
LogP4.66
Rot. Bonds7

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

(4S)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-(5-methoxy-2-pyridinyl)pentan-2-one (PubChem CID 58255200) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is (4S)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-(5-methoxy-2-pyridinyl)pentan-2-one.

Molecular Properties

Compound Name(4S)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-(5-methoxy-2-pyridinyl)pentan-2-one
PubChem CID58255200
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name(4S)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-(5-methoxy-2-pyridinyl)pentan-2-one
SMILESCOc1ccc([C@@H](C)CC(=O)Cc2csc(-c3ccc(F)cc3)n2)nc1
InChIInChI=1S/C20H19FN2O2S/c1-13(19-8-7-18(25-2)11-22-19)9-17(24)10-16-12-26-20(23-16)14-3-5-15(21)6-4-14/h3-8,11-13H,9-10H2,1-2H3/t13-/m0/s1
InChIKeyZMZKLEAJUXJUHY-ZDUSSCGKSA-N
XLogP4.66
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-(5-methoxy-2-pyridinyl)pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-(5-methoxy-2-pyridinyl)pentan-2-one?
The IUPAC name of (4S)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-(5-methoxy-2-pyridinyl)pentan-2-one (CID 58255200) is (4S)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-(5-methoxy-2-pyridinyl)pentan-2-one.
What is the SMILES notation for (4S)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-(5-methoxy-2-pyridinyl)pentan-2-one?
The canonical SMILES for (4S)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-(5-methoxy-2-pyridinyl)pentan-2-one is COc1ccc([C@@H](C)CC(=O)Cc2csc(-c3ccc(F)cc3)n2)nc1.
What is the InChIKey of (4S)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-(5-methoxy-2-pyridinyl)pentan-2-one?
The InChIKey is ZMZKLEAJUXJUHY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-13(19-8-7-18(25-2)11-22-19)9-17(24)10-16-12-26-20(23-16)14-3-5-15(21)6-4-14/h3-8,11-13H,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (4S)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-(5-methoxy-2-pyridinyl)pentan-2-one?
(4S)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-(5-methoxy-2-pyridinyl)pentan-2-one has a molecular weight of 370.45 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-(5-methoxy-2-pyridinyl)pentan-2-one is sourced from PubChem (CID 58255200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).