4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]phenol

C16H22N2OS — CID 43790441

IUPAC4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]phenol
SMILESCc1nc(C(C)(C)C)sc1C(C)Nc1ccc(O)cc1
InChIInChI=1S/C16H22N2OS/c1-10(17-12-6-8-13(19)9-7-12)14-11(2)18-15(20-14)16(3,4)5/h6-10,17,19H,1-5H3
InChIKeyVKVNGIXAVYBKPL-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.63
Rot. Bonds3

About 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]phenol

4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]phenol (PubChem CID 43790441) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]phenol.

Molecular Properties

Compound Name4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]phenol
PubChem CID43790441
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]phenol
SMILESCc1nc(C(C)(C)C)sc1C(C)Nc1ccc(O)cc1
InChIInChI=1S/C16H22N2OS/c1-10(17-12-6-8-13(19)9-7-12)14-11(2)18-15(20-14)16(3,4)5/h6-10,17,19H,1-5H3
InChIKeyVKVNGIXAVYBKPL-UHFFFAOYSA-N
XLogP4.63
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43756145
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3-chloroaniline
CID 43762120
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazol-4-amine
CID 43776724
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylaniline
CID 43781038
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpyridin-3-amine
CID 79041724
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3-chloro-5-fluoroaniline
CID 107363917
2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol
CID 43774132
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43768916
2-bromo-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3-chloroaniline
CID 103478020
2-bromo-N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-4-fluoroaniline
CID 43772577
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 43756395
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 43783015

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]phenol?
The IUPAC name of 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]phenol (CID 43790441) is 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]phenol.
What is the SMILES notation for 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]phenol?
The canonical SMILES for 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]phenol is Cc1nc(C(C)(C)C)sc1C(C)Nc1ccc(O)cc1.
What is the InChIKey of 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]phenol?
The InChIKey is VKVNGIXAVYBKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-10(17-12-6-8-13(19)9-7-12)14-11(2)18-15(20-14)16(3,4)5/h6-10,17,19H,1-5H3.
What are the key properties of 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]phenol?
4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]phenol has a molecular weight of 290.43 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]phenol is sourced from PubChem (CID 43790441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).