(4-bromo-1,3-thiazol-5-yl)-[2-(methoxymethyl)phenyl]methanol

C12H12BrNO2S — CID 114102812

IUPAC(4-bromo-1,3-thiazol-5-yl)-[2-(methoxymethyl)phenyl]methanol
SMILESCOCc1ccccc1C(O)c1scnc1Br
InChIInChI=1S/C12H12BrNO2S/c1-16-6-8-4-2-3-5-9(8)10(15)11-12(13)14-7-17-11/h2-5,7,10,15H,6H2,1H3
InChIKeyFBBWGYGGABAJMB-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.13
Rot. Bonds4

About (4-bromo-1,3-thiazol-5-yl)-[2-(methoxymethyl)phenyl]methanol

(4-bromo-1,3-thiazol-5-yl)-[2-(methoxymethyl)phenyl]methanol (PubChem CID 114102812) has the molecular formula C12H12BrNO2S and a molecular weight of 314.20 g/mol. Its IUPAC name is (4-bromo-1,3-thiazol-5-yl)-[2-(methoxymethyl)phenyl]methanol.

Molecular Properties

Compound Name(4-bromo-1,3-thiazol-5-yl)-[2-(methoxymethyl)phenyl]methanol
PubChem CID114102812
Molecular FormulaC12H12BrNO2S
Molecular Weight314.20 g/mol
Exact Mass312.98
IUPAC Name(4-bromo-1,3-thiazol-5-yl)-[2-(methoxymethyl)phenyl]methanol
SMILESCOCc1ccccc1C(O)c1scnc1Br
InChIInChI=1S/C12H12BrNO2S/c1-16-6-8-4-2-3-5-9(8)10(15)11-12(13)14-7-17-11/h2-5,7,10,15H,6H2,1H3
InChIKeyFBBWGYGGABAJMB-UHFFFAOYSA-N
XLogP3.13
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-[2-(methoxymethyl)phenyl]ethanol
CID 79567134
[2-(2-methoxyethoxy)phenyl]-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105125520
5-[hydroxy-[2-(methoxymethyl)phenyl]methyl]furan-2-carboxylic acid
CID 106946154
3-hydroxy-3-[2-(methoxymethyl)phenyl]propanenitrile
CID 79118792
(4-cyclopropyloxyphenyl)-[2-(methoxymethyl)phenyl]methanol
CID 114518627
2-bromo-3-(methoxymethyl)pyridine;ethane
CID 144882027
(4-bromo-1,3-thiazol-5-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanol
CID 114102815
(3-bromothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104658901
[2-(methoxymethyl)phenyl]-(5-methyl-1-benzofuran-2-yl)methanol
CID 114724037
N-ethyl-2,2-difluoro-1-[2-(methoxymethyl)phenyl]ethanamine
CID 80604919
(4-bromo-1,3-thiazol-2-yl)-(2-ethylphenyl)methanol
CID 114684273
1-[2-fluoro-3-(methoxymethyl)phenyl]ethanol
CID 117279865

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,3-thiazol-5-yl)-[2-(methoxymethyl)phenyl]methanol?
The IUPAC name of (4-bromo-1,3-thiazol-5-yl)-[2-(methoxymethyl)phenyl]methanol (CID 114102812) is (4-bromo-1,3-thiazol-5-yl)-[2-(methoxymethyl)phenyl]methanol.
What is the SMILES notation for (4-bromo-1,3-thiazol-5-yl)-[2-(methoxymethyl)phenyl]methanol?
The canonical SMILES for (4-bromo-1,3-thiazol-5-yl)-[2-(methoxymethyl)phenyl]methanol is COCc1ccccc1C(O)c1scnc1Br.
What is the InChIKey of (4-bromo-1,3-thiazol-5-yl)-[2-(methoxymethyl)phenyl]methanol?
The InChIKey is FBBWGYGGABAJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2S/c1-16-6-8-4-2-3-5-9(8)10(15)11-12(13)14-7-17-11/h2-5,7,10,15H,6H2,1H3.
What are the key properties of (4-bromo-1,3-thiazol-5-yl)-[2-(methoxymethyl)phenyl]methanol?
(4-bromo-1,3-thiazol-5-yl)-[2-(methoxymethyl)phenyl]methanol has a molecular weight of 314.20 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1,3-thiazol-5-yl)-[2-(methoxymethyl)phenyl]methanol is sourced from PubChem (CID 114102812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).