2-[(4-methylphenyl)methoxy]-5-(4-methyl-1,3-thiazol-2-yl)aniline

C18H18N2OS — CID 94758930

IUPAC2-[(4-methylphenyl)methoxy]-5-(4-methyl-1,3-thiazol-2-yl)aniline
SMILESCc1ccc(COc2ccc(-c3nc(C)cs3)cc2N)cc1
InChIInChI=1S/C18H18N2OS/c1-12-3-5-14(6-4-12)10-21-17-8-7-15(9-16(17)19)18-20-13(2)11-22-18/h3-9,11H,10,19H2,1-2H3
InChIKeyGQBOCUVBUNCPMZ-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.59
Rot. Bonds4

About 2-[(4-methylphenyl)methoxy]-5-(4-methyl-1,3-thiazol-2-yl)aniline

2-[(4-methylphenyl)methoxy]-5-(4-methyl-1,3-thiazol-2-yl)aniline (PubChem CID 94758930) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methoxy]-5-(4-methyl-1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound Name2-[(4-methylphenyl)methoxy]-5-(4-methyl-1,3-thiazol-2-yl)aniline
PubChem CID94758930
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name2-[(4-methylphenyl)methoxy]-5-(4-methyl-1,3-thiazol-2-yl)aniline
SMILESCc1ccc(COc2ccc(-c3nc(C)cs3)cc2N)cc1
InChIInChI=1S/C18H18N2OS/c1-12-3-5-14(6-4-12)10-21-17-8-7-15(9-16(17)19)18-20-13(2)11-22-18/h3-9,11H,10,19H2,1-2H3
InChIKeyGQBOCUVBUNCPMZ-UHFFFAOYSA-N
XLogP4.59
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenoxy]ethanol
CID 82152286
5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline
CID 82152285
5-chloro-2-[(4-methylphenyl)methoxy]aniline
CID 19624539
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20984187
2-[2-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 22682050
2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 93205686
2-[2-[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate
CID 7745299
2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline
CID 82152397
5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline
CID 82152400
ethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate
CID 82057337
3-(4-methyl-1,3-thiazol-2-yl)aniline
CID 7148568
4-methyl-2-[4-(2-methylpropoxy)-3-(nitrosomethyl)phenyl]-1,3-thiazole
CID 123642320

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methoxy]-5-(4-methyl-1,3-thiazol-2-yl)aniline?
The IUPAC name of 2-[(4-methylphenyl)methoxy]-5-(4-methyl-1,3-thiazol-2-yl)aniline (CID 94758930) is 2-[(4-methylphenyl)methoxy]-5-(4-methyl-1,3-thiazol-2-yl)aniline.
What is the SMILES notation for 2-[(4-methylphenyl)methoxy]-5-(4-methyl-1,3-thiazol-2-yl)aniline?
The canonical SMILES for 2-[(4-methylphenyl)methoxy]-5-(4-methyl-1,3-thiazol-2-yl)aniline is Cc1ccc(COc2ccc(-c3nc(C)cs3)cc2N)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methoxy]-5-(4-methyl-1,3-thiazol-2-yl)aniline?
The InChIKey is GQBOCUVBUNCPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-12-3-5-14(6-4-12)10-21-17-8-7-15(9-16(17)19)18-20-13(2)11-22-18/h3-9,11H,10,19H2,1-2H3.
What are the key properties of 2-[(4-methylphenyl)methoxy]-5-(4-methyl-1,3-thiazol-2-yl)aniline?
2-[(4-methylphenyl)methoxy]-5-(4-methyl-1,3-thiazol-2-yl)aniline has a molecular weight of 310.42 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methoxy]-5-(4-methyl-1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 94758930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).