2-[(4-methoxyphenoxy)methyl]-4-(pyrimidin-5-yloxymethyl)-1,3-thiazole

C16H15N3O3S — CID 167902967

IUPAC2-[(4-methoxyphenoxy)methyl]-4-(pyrimidin-5-yloxymethyl)-1,3-thiazole
SMILESCOc1ccc(OCc2nc(COc3cncnc3)cs2)cc1
InChIInChI=1S/C16H15N3O3S/c1-20-13-2-4-14(5-3-13)22-9-16-19-12(10-23-16)8-21-15-6-17-11-18-7-15/h2-7,10-11H,8-9H2,1H3
InChIKeyXKNBKSUTRBQGAF-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.10
Rot. Bonds7

About 2-[(4-methoxyphenoxy)methyl]-4-(pyrimidin-5-yloxymethyl)-1,3-thiazole

2-[(4-methoxyphenoxy)methyl]-4-(pyrimidin-5-yloxymethyl)-1,3-thiazole (PubChem CID 167902967) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[(4-methoxyphenoxy)methyl]-4-(pyrimidin-5-yloxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-methoxyphenoxy)methyl]-4-(pyrimidin-5-yloxymethyl)-1,3-thiazole
PubChem CID167902967
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name2-[(4-methoxyphenoxy)methyl]-4-(pyrimidin-5-yloxymethyl)-1,3-thiazole
SMILESCOc1ccc(OCc2nc(COc3cncnc3)cs2)cc1
InChIInChI=1S/C16H15N3O3S/c1-20-13-2-4-14(5-3-13)22-9-16-19-12(10-23-16)8-21-15-6-17-11-18-7-15/h2-7,10-11H,8-9H2,1H3
InChIKeyXKNBKSUTRBQGAF-UHFFFAOYSA-N
XLogP3.10
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenoxy)methyl]-4-(pyrimidin-5-yloxymethyl)-1,3-thiazole?
The IUPAC name of 2-[(4-methoxyphenoxy)methyl]-4-(pyrimidin-5-yloxymethyl)-1,3-thiazole (CID 167902967) is 2-[(4-methoxyphenoxy)methyl]-4-(pyrimidin-5-yloxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(4-methoxyphenoxy)methyl]-4-(pyrimidin-5-yloxymethyl)-1,3-thiazole?
The canonical SMILES for 2-[(4-methoxyphenoxy)methyl]-4-(pyrimidin-5-yloxymethyl)-1,3-thiazole is COc1ccc(OCc2nc(COc3cncnc3)cs2)cc1.
What is the InChIKey of 2-[(4-methoxyphenoxy)methyl]-4-(pyrimidin-5-yloxymethyl)-1,3-thiazole?
The InChIKey is XKNBKSUTRBQGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-20-13-2-4-14(5-3-13)22-9-16-19-12(10-23-16)8-21-15-6-17-11-18-7-15/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 2-[(4-methoxyphenoxy)methyl]-4-(pyrimidin-5-yloxymethyl)-1,3-thiazole?
2-[(4-methoxyphenoxy)methyl]-4-(pyrimidin-5-yloxymethyl)-1,3-thiazole has a molecular weight of 329.38 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenoxy)methyl]-4-(pyrimidin-5-yloxymethyl)-1,3-thiazole is sourced from PubChem (CID 167902967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).