1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol

C15H20N2OS — CID 106695410

IUPAC1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
SMILESCC(C)(C)c1csc(CC(O)c2ccc(N)cc2)n1
InChIInChI=1S/C15H20N2OS/c1-15(2,3)13-9-19-14(17-13)8-12(18)10-4-6-11(16)7-5-10/h4-7,9,12,18H,8,16H2,1-3H3
InChIKeyXWAQDMUEAQWLFI-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.30
Rot. Bonds3

About 1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol

1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol (PubChem CID 106695410) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
PubChem CID106695410
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
SMILESCC(C)(C)c1csc(CC(O)c2ccc(N)cc2)n1
InChIInChI=1S/C15H20N2OS/c1-15(2,3)13-9-19-14(17-13)8-12(18)10-4-6-11(16)7-5-10/h4-7,9,12,18H,8,16H2,1-3H3
InChIKeyXWAQDMUEAQWLFI-UHFFFAOYSA-N
XLogP3.30
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)ethanol
CID 115822986
1-(5-bromothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 105115581
1-(3-bromo-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 115566299
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)ethanol
CID 79819548
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 115822987
1-(4-tert-butyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454424
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanol
CID 79820427
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105115618
1-(2-amino-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 79820270
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylbutan-2-ol
CID 79820555
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-[3-(methoxymethyl)phenyl]ethanol
CID 79827482
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)ethanamine
CID 79819506

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol (CID 106695410) is 1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol is CC(C)(C)c1csc(CC(O)c2ccc(N)cc2)n1.
What is the InChIKey of 1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol?
The InChIKey is XWAQDMUEAQWLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-15(2,3)13-9-19-14(17-13)8-12(18)10-4-6-11(16)7-5-10/h4-7,9,12,18H,8,16H2,1-3H3.
What are the key properties of 1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol?
1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol has a molecular weight of 276.41 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 106695410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).