4-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethoxy]aniline

C19H20N2OS — CID 82163122

IUPAC4-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethoxy]aniline
SMILESCc1ccc(-c2csc(CCOc3ccc(N)cc3)n2)cc1C
InChIInChI=1S/C19H20N2OS/c1-13-3-4-15(11-14(13)2)18-12-23-19(21-18)9-10-22-17-7-5-16(20)6-8-17/h3-8,11-12H,9-10,20H2,1-2H3
InChIKeyLHQKGXDLXMOZOO-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.63
Rot. Bonds5

About 4-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethoxy]aniline

4-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethoxy]aniline (PubChem CID 82163122) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethoxy]aniline.

Molecular Properties

Compound Name4-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethoxy]aniline
PubChem CID82163122
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name4-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethoxy]aniline
SMILESCc1ccc(-c2csc(CCOc3ccc(N)cc3)n2)cc1C
InChIInChI=1S/C19H20N2OS/c1-13-3-4-15(11-14(13)2)18-12-23-19(21-18)9-10-22-17-7-5-16(20)6-8-17/h3-8,11-12H,9-10,20H2,1-2H3
InChIKeyLHQKGXDLXMOZOO-UHFFFAOYSA-N
XLogP4.63
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
CID 116964998
3-[2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]aniline
CID 94760676
3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanenitrile
CID 116866782
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 1497789
4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride
CID 2870539
2-[2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
CID 28918290
2-[2-[2-(3,4-dimethylphenoxy)ethyl]-1,3-thiazol-4-yl]propan-2-ol
CID 82516365
2-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol
CID 116965970
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 7915421
2-chloro-5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]aniline
CID 39164043
3-[2-[3-(2-methylphenoxy)propyl]-1,3-thiazol-4-yl]aniline
CID 82154267
3-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethylamino]propanoic acid
CID 82102974

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethoxy]aniline?
The IUPAC name of 4-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethoxy]aniline (CID 82163122) is 4-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethoxy]aniline.
What is the SMILES notation for 4-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethoxy]aniline?
The canonical SMILES for 4-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethoxy]aniline is Cc1ccc(-c2csc(CCOc3ccc(N)cc3)n2)cc1C.
What is the InChIKey of 4-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethoxy]aniline?
The InChIKey is LHQKGXDLXMOZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-13-3-4-15(11-14(13)2)18-12-23-19(21-18)9-10-22-17-7-5-16(20)6-8-17/h3-8,11-12H,9-10,20H2,1-2H3.
What are the key properties of 4-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethoxy]aniline?
4-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethoxy]aniline has a molecular weight of 324.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethoxy]aniline is sourced from PubChem (CID 82163122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).