[2-(2-bromo-4-methylphenyl)-1,3-thiazol-4-yl]methanol

C11H10BrNOS — CID 107916027

IUPAC[2-(2-bromo-4-methylphenyl)-1,3-thiazol-4-yl]methanol
SMILESCc1ccc(-c2nc(CO)cs2)c(Br)c1
InChIInChI=1S/C11H10BrNOS/c1-7-2-3-9(10(12)4-7)11-13-8(5-14)6-15-11/h2-4,6,14H,5H2,1H3
InChIKeyOCTICYHFJXZFTM-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.37
Rot. Bonds2

About [2-(2-bromo-4-methylphenyl)-1,3-thiazol-4-yl]methanol

[2-(2-bromo-4-methylphenyl)-1,3-thiazol-4-yl]methanol (PubChem CID 107916027) has the molecular formula C11H10BrNOS and a molecular weight of 284.18 g/mol. Its IUPAC name is [2-(2-bromo-4-methylphenyl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(2-bromo-4-methylphenyl)-1,3-thiazol-4-yl]methanol
PubChem CID107916027
Molecular FormulaC11H10BrNOS
Molecular Weight284.18 g/mol
Exact Mass282.97
IUPAC Name[2-(2-bromo-4-methylphenyl)-1,3-thiazol-4-yl]methanol
SMILESCc1ccc(-c2nc(CO)cs2)c(Br)c1
InChIInChI=1S/C11H10BrNOS/c1-7-2-3-9(10(12)4-7)11-13-8(5-14)6-15-11/h2-4,6,14H,5H2,1H3
InChIKeyOCTICYHFJXZFTM-UHFFFAOYSA-N
XLogP3.37
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-bromo-4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 107915325
[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]methanol
CID 107504757
[2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol
CID 10828361
2-[2-(2-methoxy-5-methylphenyl)-1,3-thiazol-4-yl]ethanol
CID 82087185
2-[2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 62308557
N-[[2-(2-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114015458
[2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-yl]methanol
CID 116889050
[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 39354147
N-(2-bromo-4-methylphenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 26737607
4-bromo-2-(2-chloro-4-methylphenyl)-1,3-thiazole
CID 142618257
4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 136889589
[2-(2-bromo-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114015463

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-methylphenyl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(2-bromo-4-methylphenyl)-1,3-thiazol-4-yl]methanol (CID 107916027) is [2-(2-bromo-4-methylphenyl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(2-bromo-4-methylphenyl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(2-bromo-4-methylphenyl)-1,3-thiazol-4-yl]methanol is Cc1ccc(-c2nc(CO)cs2)c(Br)c1.
What is the InChIKey of [2-(2-bromo-4-methylphenyl)-1,3-thiazol-4-yl]methanol?
The InChIKey is OCTICYHFJXZFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNOS/c1-7-2-3-9(10(12)4-7)11-13-8(5-14)6-15-11/h2-4,6,14H,5H2,1H3.
What are the key properties of [2-(2-bromo-4-methylphenyl)-1,3-thiazol-4-yl]methanol?
[2-(2-bromo-4-methylphenyl)-1,3-thiazol-4-yl]methanol has a molecular weight of 284.18 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-4-methylphenyl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 107916027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).