3-methyl-5-[[3-(4-methylphenoxy)phenoxy]methyl]-1,2-thiazole

C18H17NO2S — CID 70855080

IUPAC3-methyl-5-[[3-(4-methylphenoxy)phenoxy]methyl]-1,2-thiazole
SMILESCc1ccc(Oc2cccc(OCc3cc(C)ns3)c2)cc1
InChIInChI=1S/C18H17NO2S/c1-13-6-8-15(9-7-13)21-17-5-3-4-16(11-17)20-12-18-10-14(2)19-22-18/h3-11H,12H2,1-2H3
InChIKeyKOKWOTIAVXCYKI-UHFFFAOYSA-N
MW311.41 g/mol
LogP5.13
Rot. Bonds5

About 3-methyl-5-[[3-(4-methylphenoxy)phenoxy]methyl]-1,2-thiazole

3-methyl-5-[[3-(4-methylphenoxy)phenoxy]methyl]-1,2-thiazole (PubChem CID 70855080) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-methyl-5-[[3-(4-methylphenoxy)phenoxy]methyl]-1,2-thiazole.

Molecular Properties

Compound Name3-methyl-5-[[3-(4-methylphenoxy)phenoxy]methyl]-1,2-thiazole
PubChem CID70855080
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC Name3-methyl-5-[[3-(4-methylphenoxy)phenoxy]methyl]-1,2-thiazole
SMILESCc1ccc(Oc2cccc(OCc3cc(C)ns3)c2)cc1
InChIInChI=1S/C18H17NO2S/c1-13-6-8-15(9-7-13)21-17-5-3-4-16(11-17)20-12-18-10-14(2)19-22-18/h3-11H,12H2,1-2H3
InChIKeyKOKWOTIAVXCYKI-UHFFFAOYSA-N
XLogP5.13
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.41
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene
CID 142197636
2-[[3-(4-methylphenoxy)phenoxy]methyl]aniline
CID 89036380
4-[3-[4-(4-methylphenoxy)phenoxy]phenoxy]aniline
CID 174332616
4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463
1-methyl-4-phenoxybenzene;4-[(3-methylphenoxy)methyl]pyridine;1-methyl-4-phenylbenzene
CID 158309551
[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90192164
4-[3-(4-aminophenoxy)phenoxy]aniline;toluene;hydrochloride
CID 70184053
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
7-fluoro-2-[(4-methylphenoxy)methyl]-1-benzothiophene
CID 117183285
5-[(3-chlorophenoxy)methyl]-1,2-thiazol-3-amine
CID 117217070
1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;methane;1-methyl-4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1,3-xylene
CID 161224298

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[3-(4-methylphenoxy)phenoxy]methyl]-1,2-thiazole?
The IUPAC name of 3-methyl-5-[[3-(4-methylphenoxy)phenoxy]methyl]-1,2-thiazole (CID 70855080) is 3-methyl-5-[[3-(4-methylphenoxy)phenoxy]methyl]-1,2-thiazole.
What is the SMILES notation for 3-methyl-5-[[3-(4-methylphenoxy)phenoxy]methyl]-1,2-thiazole?
The canonical SMILES for 3-methyl-5-[[3-(4-methylphenoxy)phenoxy]methyl]-1,2-thiazole is Cc1ccc(Oc2cccc(OCc3cc(C)ns3)c2)cc1.
What is the InChIKey of 3-methyl-5-[[3-(4-methylphenoxy)phenoxy]methyl]-1,2-thiazole?
The InChIKey is KOKWOTIAVXCYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c1-13-6-8-15(9-7-13)21-17-5-3-4-16(11-17)20-12-18-10-14(2)19-22-18/h3-11H,12H2,1-2H3.
What are the key properties of 3-methyl-5-[[3-(4-methylphenoxy)phenoxy]methyl]-1,2-thiazole?
3-methyl-5-[[3-(4-methylphenoxy)phenoxy]methyl]-1,2-thiazole has a molecular weight of 311.41 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[3-(4-methylphenoxy)phenoxy]methyl]-1,2-thiazole is sourced from PubChem (CID 70855080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).