5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline

C19H20N2OS — CID 82152285

IUPAC5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline
SMILESCCCOc1ccc(-c2nc(-c3ccc(C)cc3)cs2)cc1N
InChIInChI=1S/C19H20N2OS/c1-3-10-22-18-9-8-15(11-16(18)20)19-21-17(12-23-19)14-6-4-13(2)5-7-14/h4-9,11-12H,3,10,20H2,1-2H3
InChIKeyZBUSDYSRFRWUKB-UHFFFAOYSA-N
MW324.45 g/mol
LogP5.16
Rot. Bonds5

About 5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline

5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline (PubChem CID 82152285) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline.

Molecular Properties

Compound Name5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline
PubChem CID82152285
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline
SMILESCCCOc1ccc(-c2nc(-c3ccc(C)cc3)cs2)cc1N
InChIInChI=1S/C19H20N2OS/c1-3-10-22-18-9-8-15(11-16(18)20)19-21-17(12-23-19)14-6-4-13(2)5-7-14/h4-9,11-12H,3,10,20H2,1-2H3
InChIKeyZBUSDYSRFRWUKB-UHFFFAOYSA-N
XLogP5.16
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.45
LogP ≤ 55.16
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-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline
CID 82152400
2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 93205686
5-(2-ethyl-1,3-thiazol-4-yl)-2-pentoxyaniline
CID 82057785
2-[(4-methylphenyl)methoxy]-5-(4-methyl-1,3-thiazol-2-yl)aniline
CID 94758930
5-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-propoxyaniline
CID 82152278
5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxyaniline
CID 82152301
4-[3-amino-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-amine
CID 168950454
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 82164375
2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline
CID 82152397
2-butoxy-5-(4,5-dimethyl-1,3-thiazol-2-yl)aniline
CID 82152374
2-[2-(methoxymethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole
CID 145149584

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline?
The IUPAC name of 5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline (CID 82152285) is 5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline.
What is the SMILES notation for 5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline?
The canonical SMILES for 5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline is CCCOc1ccc(-c2nc(-c3ccc(C)cc3)cs2)cc1N.
What is the InChIKey of 5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline?
The InChIKey is ZBUSDYSRFRWUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-3-10-22-18-9-8-15(11-16(18)20)19-21-17(12-23-19)14-6-4-13(2)5-7-14/h4-9,11-12H,3,10,20H2,1-2H3.
What are the key properties of 5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline?
5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline has a molecular weight of 324.45 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline is sourced from PubChem (CID 82152285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).