2-[4-(4-methoxyphenyl)oxan-4-yl]-4-methyl-1,3-thiazole

C16H19NO2S — CID 170068372

IUPAC2-[4-(4-methoxyphenyl)oxan-4-yl]-4-methyl-1,3-thiazole
SMILESCOc1ccc(C2(c3nc(C)cs3)CCOCC2)cc1
InChIInChI=1S/C16H19NO2S/c1-12-11-20-15(17-12)16(7-9-19-10-8-16)13-3-5-14(18-2)6-4-13/h3-6,11H,7-10H2,1-2H3
InChIKeyWLQJLHAQJAUKQR-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.56
Rot. Bonds3

About 2-[4-(4-methoxyphenyl)oxan-4-yl]-4-methyl-1,3-thiazole

2-[4-(4-methoxyphenyl)oxan-4-yl]-4-methyl-1,3-thiazole (PubChem CID 170068372) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)oxan-4-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)oxan-4-yl]-4-methyl-1,3-thiazole
PubChem CID170068372
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-[4-(4-methoxyphenyl)oxan-4-yl]-4-methyl-1,3-thiazole
SMILESCOc1ccc(C2(c3nc(C)cs3)CCOCC2)cc1
InChIInChI=1S/C16H19NO2S/c1-12-11-20-15(17-12)16(7-9-19-10-8-16)13-3-5-14(18-2)6-4-13/h3-6,11H,7-10H2,1-2H3
InChIKeyWLQJLHAQJAUKQR-UHFFFAOYSA-N
XLogP3.56
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)oxan-4-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[4-(4-methoxyphenyl)oxan-4-yl]-4-methyl-1,3-thiazole (CID 170068372) is 2-[4-(4-methoxyphenyl)oxan-4-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)oxan-4-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[4-(4-methoxyphenyl)oxan-4-yl]-4-methyl-1,3-thiazole is COc1ccc(C2(c3nc(C)cs3)CCOCC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)oxan-4-yl]-4-methyl-1,3-thiazole?
The InChIKey is WLQJLHAQJAUKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12-11-20-15(17-12)16(7-9-19-10-8-16)13-3-5-14(18-2)6-4-13/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 2-[4-(4-methoxyphenyl)oxan-4-yl]-4-methyl-1,3-thiazole?
2-[4-(4-methoxyphenyl)oxan-4-yl]-4-methyl-1,3-thiazole has a molecular weight of 289.40 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)oxan-4-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 170068372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).