2-(2-ethyl-4-pyridinyl)-5-[3-[(4-fluorophenyl)methoxy]propyl]-4-methyl-1,3-thiazole

C21H23FN2OS — CID 86300150

IUPAC2-(2-ethyl-4-pyridinyl)-5-[3-[(4-fluorophenyl)methoxy]propyl]-4-methyl-1,3-thiazole
SMILESCCc1cc(-c2nc(C)c(CCCOCc3ccc(F)cc3)s2)ccn1
InChIInChI=1S/C21H23FN2OS/c1-3-19-13-17(10-11-23-19)21-24-15(2)20(26-21)5-4-12-25-14-16-6-8-18(22)9-7-16/h6-11,13H,3-5,12,14H2,1-2H3
InChIKeyMJWBOQPBTUXRJT-UHFFFAOYSA-N
MW370.49 g/mol
LogP5.36
Rot. Bonds8

About 2-(2-ethyl-4-pyridinyl)-5-[3-[(4-fluorophenyl)methoxy]propyl]-4-methyl-1,3-thiazole

2-(2-ethyl-4-pyridinyl)-5-[3-[(4-fluorophenyl)methoxy]propyl]-4-methyl-1,3-thiazole (PubChem CID 86300150) has the molecular formula C21H23FN2OS and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-(2-ethyl-4-pyridinyl)-5-[3-[(4-fluorophenyl)methoxy]propyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-ethyl-4-pyridinyl)-5-[3-[(4-fluorophenyl)methoxy]propyl]-4-methyl-1,3-thiazole
PubChem CID86300150
Molecular FormulaC21H23FN2OS
Molecular Weight370.49 g/mol
Exact Mass370.15
IUPAC Name2-(2-ethyl-4-pyridinyl)-5-[3-[(4-fluorophenyl)methoxy]propyl]-4-methyl-1,3-thiazole
SMILESCCc1cc(-c2nc(C)c(CCCOCc3ccc(F)cc3)s2)ccn1
InChIInChI=1S/C21H23FN2OS/c1-3-19-13-17(10-11-23-19)21-24-15(2)20(26-21)5-4-12-25-14-16-6-8-18(22)9-7-16/h6-11,13H,3-5,12,14H2,1-2H3
InChIKeyMJWBOQPBTUXRJT-UHFFFAOYSA-N
XLogP5.36
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-pyridinyl)-5-[3-[(4-fluorophenyl)methoxy]propyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-(2-ethyl-4-pyridinyl)-5-[3-[(4-fluorophenyl)methoxy]propyl]-4-methyl-1,3-thiazole (CID 86300150) is 2-(2-ethyl-4-pyridinyl)-5-[3-[(4-fluorophenyl)methoxy]propyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(2-ethyl-4-pyridinyl)-5-[3-[(4-fluorophenyl)methoxy]propyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(2-ethyl-4-pyridinyl)-5-[3-[(4-fluorophenyl)methoxy]propyl]-4-methyl-1,3-thiazole is CCc1cc(-c2nc(C)c(CCCOCc3ccc(F)cc3)s2)ccn1.
What is the InChIKey of 2-(2-ethyl-4-pyridinyl)-5-[3-[(4-fluorophenyl)methoxy]propyl]-4-methyl-1,3-thiazole?
The InChIKey is MJWBOQPBTUXRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2OS/c1-3-19-13-17(10-11-23-19)21-24-15(2)20(26-21)5-4-12-25-14-16-6-8-18(22)9-7-16/h6-11,13H,3-5,12,14H2,1-2H3.
What are the key properties of 2-(2-ethyl-4-pyridinyl)-5-[3-[(4-fluorophenyl)methoxy]propyl]-4-methyl-1,3-thiazole?
2-(2-ethyl-4-pyridinyl)-5-[3-[(4-fluorophenyl)methoxy]propyl]-4-methyl-1,3-thiazole has a molecular weight of 370.49 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-pyridinyl)-5-[3-[(4-fluorophenyl)methoxy]propyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 86300150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).