5-(fluoromethyl)-2-(3-methylphenyl)-4-(oxan-2-yloxymethyl)-1,3-thiazole

C17H20FNO2S — CID 58127551

IUPAC5-(fluoromethyl)-2-(3-methylphenyl)-4-(oxan-2-yloxymethyl)-1,3-thiazole
SMILESCc1cccc(-c2nc(COC3CCCCO3)c(CF)s2)c1
InChIInChI=1S/C17H20FNO2S/c1-12-5-4-6-13(9-12)17-19-14(15(10-18)22-17)11-21-16-7-2-3-8-20-16/h4-6,9,16H,2-3,7-8,10-11H2,1H3
InChIKeyUDFZNIAKIKMMEL-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.63
Rot. Bonds5

About 5-(fluoromethyl)-2-(3-methylphenyl)-4-(oxan-2-yloxymethyl)-1,3-thiazole

5-(fluoromethyl)-2-(3-methylphenyl)-4-(oxan-2-yloxymethyl)-1,3-thiazole (PubChem CID 58127551) has the molecular formula C17H20FNO2S and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-(fluoromethyl)-2-(3-methylphenyl)-4-(oxan-2-yloxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(fluoromethyl)-2-(3-methylphenyl)-4-(oxan-2-yloxymethyl)-1,3-thiazole
PubChem CID58127551
Molecular FormulaC17H20FNO2S
Molecular Weight321.42 g/mol
Exact Mass321.12
IUPAC Name5-(fluoromethyl)-2-(3-methylphenyl)-4-(oxan-2-yloxymethyl)-1,3-thiazole
SMILESCc1cccc(-c2nc(COC3CCCCO3)c(CF)s2)c1
InChIInChI=1S/C17H20FNO2S/c1-12-5-4-6-13(9-12)17-19-14(15(10-18)22-17)11-21-16-7-2-3-8-20-16/h4-6,9,16H,2-3,7-8,10-11H2,1H3
InChIKeyUDFZNIAKIKMMEL-UHFFFAOYSA-N
XLogP4.63
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-2-(3-methylphenyl)-4-(oxan-2-yloxymethyl)-1,3-thiazole?
The IUPAC name of 5-(fluoromethyl)-2-(3-methylphenyl)-4-(oxan-2-yloxymethyl)-1,3-thiazole (CID 58127551) is 5-(fluoromethyl)-2-(3-methylphenyl)-4-(oxan-2-yloxymethyl)-1,3-thiazole.
What is the SMILES notation for 5-(fluoromethyl)-2-(3-methylphenyl)-4-(oxan-2-yloxymethyl)-1,3-thiazole?
The canonical SMILES for 5-(fluoromethyl)-2-(3-methylphenyl)-4-(oxan-2-yloxymethyl)-1,3-thiazole is Cc1cccc(-c2nc(COC3CCCCO3)c(CF)s2)c1.
What is the InChIKey of 5-(fluoromethyl)-2-(3-methylphenyl)-4-(oxan-2-yloxymethyl)-1,3-thiazole?
The InChIKey is UDFZNIAKIKMMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2S/c1-12-5-4-6-13(9-12)17-19-14(15(10-18)22-17)11-21-16-7-2-3-8-20-16/h4-6,9,16H,2-3,7-8,10-11H2,1H3.
What are the key properties of 5-(fluoromethyl)-2-(3-methylphenyl)-4-(oxan-2-yloxymethyl)-1,3-thiazole?
5-(fluoromethyl)-2-(3-methylphenyl)-4-(oxan-2-yloxymethyl)-1,3-thiazole has a molecular weight of 321.42 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-2-(3-methylphenyl)-4-(oxan-2-yloxymethyl)-1,3-thiazole is sourced from PubChem (CID 58127551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).