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

C12H13NO2S — CID 117188251

IUPAC2-[(3-methoxyphenoxy)methyl]-5-methyl-1,3-thiazole
SMILESCOc1cccc(OCc2ncc(C)s2)c1
InChIInChI=1S/C12H13NO2S/c1-9-7-13-12(16-9)8-15-11-5-3-4-10(6-11)14-2/h3-7H,8H2,1-2H3
InChIKeyKLALBJMIKHITSO-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.04
Rot. Bonds4

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

2-[(3-methoxyphenoxy)methyl]-5-methyl-1,3-thiazole (PubChem CID 117188251) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-[(3-methoxyphenoxy)methyl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(3-methoxyphenoxy)methyl]-5-methyl-1,3-thiazole
PubChem CID117188251
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name2-[(3-methoxyphenoxy)methyl]-5-methyl-1,3-thiazole
SMILESCOc1cccc(OCc2ncc(C)s2)c1
InChIInChI=1S/C12H13NO2S/c1-9-7-13-12(16-9)8-15-11-5-3-4-10(6-11)14-2/h3-7H,8H2,1-2H3
InChIKeyKLALBJMIKHITSO-UHFFFAOYSA-N
XLogP3.04
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole
CID 117188254
[2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 95461249
N-[[2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82423142
2-chloro-5-[(3-methoxyphenoxy)methyl]-1,3-thiazole
CID 79764226
1-ethyl-3-[2-(3-methoxyphenoxy)ethyl]-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111522275
2-(3-methoxyphenyl)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110739366
ethyl 2-[(3-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 53263563
6-[(3-methoxyphenoxy)methyl]-3-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 53497685
N-[[2-[(3-methoxyphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82193630
[4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82440577
2-[(2-fluorophenoxy)methyl]-5-methyl-1,3-thiazole
CID 117188220
2-[(3-methoxyphenoxy)methyl]-1,3-oxazole
CID 117186726

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenoxy)methyl]-5-methyl-1,3-thiazole?
The IUPAC name of 2-[(3-methoxyphenoxy)methyl]-5-methyl-1,3-thiazole (CID 117188251) is 2-[(3-methoxyphenoxy)methyl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(3-methoxyphenoxy)methyl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-[(3-methoxyphenoxy)methyl]-5-methyl-1,3-thiazole is COc1cccc(OCc2ncc(C)s2)c1.
What is the InChIKey of 2-[(3-methoxyphenoxy)methyl]-5-methyl-1,3-thiazole?
The InChIKey is KLALBJMIKHITSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-9-7-13-12(16-9)8-15-11-5-3-4-10(6-11)14-2/h3-7H,8H2,1-2H3.
What are the key properties of 2-[(3-methoxyphenoxy)methyl]-5-methyl-1,3-thiazole?
2-[(3-methoxyphenoxy)methyl]-5-methyl-1,3-thiazole has a molecular weight of 235.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenoxy)methyl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 117188251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).