2-[(4-methylphenoxy)methyl]-4-pyridin-4-yl-1,3-thiazole

C16H14N2OS — CID 166360122

IUPAC2-[(4-methylphenoxy)methyl]-4-pyridin-4-yl-1,3-thiazole
SMILESCc1ccc(OCc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C16H14N2OS/c1-12-2-4-14(5-3-12)19-10-16-18-15(11-20-16)13-6-8-17-9-7-13/h2-9,11H,10H2,1H3
InChIKeyYIPJYTFYAFJIOU-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.09
Rot. Bonds4

About 2-[(4-methylphenoxy)methyl]-4-pyridin-4-yl-1,3-thiazole

2-[(4-methylphenoxy)methyl]-4-pyridin-4-yl-1,3-thiazole (PubChem CID 166360122) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-[(4-methylphenoxy)methyl]-4-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-methylphenoxy)methyl]-4-pyridin-4-yl-1,3-thiazole
PubChem CID166360122
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name2-[(4-methylphenoxy)methyl]-4-pyridin-4-yl-1,3-thiazole
SMILESCc1ccc(OCc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C16H14N2OS/c1-12-2-4-14(5-3-12)19-10-16-18-15(11-20-16)13-6-8-17-9-7-13/h2-9,11H,10H2,1H3
InChIKeyYIPJYTFYAFJIOU-UHFFFAOYSA-N
XLogP4.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169
[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride
CID 127501309
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962794
2-(chloromethyl)-4-pyridin-4-yl-1,3-thiazole
CID 14152289
2-(chloromethyl)-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 62922890
2-methyl-4-[4-(pyrimidin-5-ylmethoxy)phenyl]-1,3-thiazole
CID 166393797
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 4660258
2-(methoxymethyl)-4-(4-propan-2-yloxyphenyl)-1,3-thiazole
CID 116969959
2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 132533720
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 1497789
1-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-amine
CID 62653588

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenoxy)methyl]-4-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 2-[(4-methylphenoxy)methyl]-4-pyridin-4-yl-1,3-thiazole (CID 166360122) is 2-[(4-methylphenoxy)methyl]-4-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 2-[(4-methylphenoxy)methyl]-4-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 2-[(4-methylphenoxy)methyl]-4-pyridin-4-yl-1,3-thiazole is Cc1ccc(OCc2nc(-c3ccncc3)cs2)cc1.
What is the InChIKey of 2-[(4-methylphenoxy)methyl]-4-pyridin-4-yl-1,3-thiazole?
The InChIKey is YIPJYTFYAFJIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-12-2-4-14(5-3-12)19-10-16-18-15(11-20-16)13-6-8-17-9-7-13/h2-9,11H,10H2,1H3.
What are the key properties of 2-[(4-methylphenoxy)methyl]-4-pyridin-4-yl-1,3-thiazole?
2-[(4-methylphenoxy)methyl]-4-pyridin-4-yl-1,3-thiazole has a molecular weight of 282.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenoxy)methyl]-4-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 166360122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).