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

C18H19NOS — CID 143212596

IUPAC2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-thiazole
SMILESCc1ccc(-c2ccc(OCC3=NCCS3)c(C)c2)cc1
InChIInChI=1S/C18H19NOS/c1-13-3-5-15(6-4-13)16-7-8-17(14(2)11-16)20-12-18-19-9-10-21-18/h3-8,11H,9-10,12H2,1-2H3
InChIKeyNNEDLHWDCQAIER-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.49
Rot. Bonds4

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

2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-thiazole (PubChem CID 143212596) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-thiazole
PubChem CID143212596
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-thiazole
SMILESCc1ccc(-c2ccc(OCC3=NCCS3)c(C)c2)cc1
InChIInChI=1S/C18H19NOS/c1-13-3-5-15(6-4-13)16-7-8-17(14(2)11-16)20-12-18-19-9-10-21-18/h3-8,11H,9-10,12H2,1-2H3
InChIKeyNNEDLHWDCQAIER-UHFFFAOYSA-N
XLogP4.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-2-methyl-4-(4-methylphenyl)benzene
CID 59737736
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
2-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132593167
5-[4-[[3-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylphenoxy]methyl]-5-methylphenyl]methoxy]-3-methylphenyl]-3,4-dihydro-2H-pyrrole
CID 158395221
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870790
5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine
CID 2400033
2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol
CID 67511777
3-[(2,4-dimethylphenoxy)methyl]-5-(3,5-dimethylphenyl)pyridine
CID 42851737
2,4-dimethyl-1-(2-methyl-4-pyridin-4-ylphenoxy)pentan-2-amine
CID 151535069
1-(isothiocyanatomethoxy)-2-methyl-4-phenylbenzene
CID 21388084
5-[(2,4-dimethylphenoxy)methyl]-1H-pyrazol-3-amine
CID 82079012
3-bromo-5-[(2,4-dimethylphenoxy)methyl]pyridine
CID 115580431

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-thiazole (CID 143212596) is 2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-thiazole is Cc1ccc(-c2ccc(OCC3=NCCS3)c(C)c2)cc1.
What is the InChIKey of 2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is NNEDLHWDCQAIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-13-3-5-15(6-4-13)16-7-8-17(14(2)11-16)20-12-18-19-9-10-21-18/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of 2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-thiazole?
2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 297.42 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 143212596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).