1-(5-bromothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol

C13H16BrNOS2 — CID 105115581

IUPAC1-(5-bromothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
SMILESCC(C)(C)c1csc(CC(O)c2csc(Br)c2)n1
InChIInChI=1S/C13H16BrNOS2/c1-13(2,3)10-7-18-12(15-10)5-9(16)8-4-11(14)17-6-8/h4,6-7,9,16H,5H2,1-3H3
InChIKeyOOXMOWQHMITFFD-UHFFFAOYSA-N
MW346.32 g/mol
LogP4.54
Rot. Bonds3

About 1-(5-bromothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol

1-(5-bromothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol (PubChem CID 105115581) has the molecular formula C13H16BrNOS2 and a molecular weight of 346.32 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
PubChem CID105115581
Molecular FormulaC13H16BrNOS2
Molecular Weight346.32 g/mol
Exact Mass344.99
IUPAC Name1-(5-bromothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
SMILESCC(C)(C)c1csc(CC(O)c2csc(Br)c2)n1
InChIInChI=1S/C13H16BrNOS2/c1-13(2,3)10-7-18-12(15-10)5-9(16)8-4-11(14)17-6-8/h4,6-7,9,16H,5H2,1-3H3
InChIKeyOOXMOWQHMITFFD-UHFFFAOYSA-N
XLogP4.54
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 115566299
1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 106695410
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105115618
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-chloro-4-methylphenyl)ethanol
CID 115822986
1-(5-bromo-2-fluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 79819776
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-(3-methoxy-4-methylphenyl)ethanol
CID 115822987
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,5-dimethylthiophen-3-yl)ethanol
CID 79820476
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-(3,5-dibromophenyl)ethyl]hydrazine
CID 107979295
1-(4-tert-butyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454424

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(5-bromothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol (CID 105115581) is 1-(5-bromothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol is CC(C)(C)c1csc(CC(O)c2csc(Br)c2)n1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol?
The InChIKey is OOXMOWQHMITFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNOS2/c1-13(2,3)10-7-18-12(15-10)5-9(16)8-4-11(14)17-6-8/h4,6-7,9,16H,5H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol?
1-(5-bromothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol has a molecular weight of 346.32 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 105115581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).