(4-bromo-1,3-thiazol-2-yl)-(2-ethylphenyl)methanol

C12H12BrNOS — CID 114684273

IUPAC(4-bromo-1,3-thiazol-2-yl)-(2-ethylphenyl)methanol
SMILESCCc1ccccc1C(O)c1nc(Br)cs1
InChIInChI=1S/C12H12BrNOS/c1-2-8-5-3-4-6-9(8)11(15)12-14-10(13)7-16-12/h3-7,11,15H,2H2,1H3
InChIKeyJYWUTZWZLPKPBK-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.55
Rot. Bonds3

About (4-bromo-1,3-thiazol-2-yl)-(2-ethylphenyl)methanol

(4-bromo-1,3-thiazol-2-yl)-(2-ethylphenyl)methanol (PubChem CID 114684273) has the molecular formula C12H12BrNOS and a molecular weight of 298.21 g/mol. Its IUPAC name is (4-bromo-1,3-thiazol-2-yl)-(2-ethylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-1,3-thiazol-2-yl)-(2-ethylphenyl)methanol
PubChem CID114684273
Molecular FormulaC12H12BrNOS
Molecular Weight298.21 g/mol
Exact Mass296.98
IUPAC Name(4-bromo-1,3-thiazol-2-yl)-(2-ethylphenyl)methanol
SMILESCCc1ccccc1C(O)c1nc(Br)cs1
InChIInChI=1S/C12H12BrNOS/c1-2-8-5-3-4-6-9(8)11(15)12-14-10(13)7-16-12/h3-7,11,15H,2H2,1H3
InChIKeyJYWUTZWZLPKPBK-UHFFFAOYSA-N
XLogP3.55
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromophenyl)-(2-ethylphenyl)methanol
CID 91657587
(4-bromo-1,3-thiazol-2-yl)-(2,5-dimethylthiophen-3-yl)methanol
CID 114684275
(4-bromo-1,3-thiazol-2-yl)-(3-methylthiophen-2-yl)methanol
CID 114684226
(3-bromophenyl)-(2-ethylphenyl)methanol
CID 91657859
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-ethylphenyl)ethanol
CID 79820321
(S)-(2-ethylphenyl)-pyridin-2-ylmethanol
CID 97292894
(R)-(2-ethylphenyl)-pyridin-2-ylmethanol
CID 97292895
1-(2-ethylphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 62413912
(4-bromo-1,3-thiazol-2-yl)-(3-methylfuran-2-yl)methanol
CID 114684488
2-[(2-fluorophenyl)-hydroxymethyl]-1,3-thiazole-4-carboxylic acid
CID 83394159
2-amino-1-(4-bromo-1,3-thiazol-2-yl)ethanol
CID 114684436
1-bromo-1-(2-ethylphenyl)propan-2-one
CID 130785743

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,3-thiazol-2-yl)-(2-ethylphenyl)methanol?
The IUPAC name of (4-bromo-1,3-thiazol-2-yl)-(2-ethylphenyl)methanol (CID 114684273) is (4-bromo-1,3-thiazol-2-yl)-(2-ethylphenyl)methanol.
What is the SMILES notation for (4-bromo-1,3-thiazol-2-yl)-(2-ethylphenyl)methanol?
The canonical SMILES for (4-bromo-1,3-thiazol-2-yl)-(2-ethylphenyl)methanol is CCc1ccccc1C(O)c1nc(Br)cs1.
What is the InChIKey of (4-bromo-1,3-thiazol-2-yl)-(2-ethylphenyl)methanol?
The InChIKey is JYWUTZWZLPKPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c1-2-8-5-3-4-6-9(8)11(15)12-14-10(13)7-16-12/h3-7,11,15H,2H2,1H3.
What are the key properties of (4-bromo-1,3-thiazol-2-yl)-(2-ethylphenyl)methanol?
(4-bromo-1,3-thiazol-2-yl)-(2-ethylphenyl)methanol has a molecular weight of 298.21 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1,3-thiazol-2-yl)-(2-ethylphenyl)methanol is sourced from PubChem (CID 114684273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).