2-[2-[5-(bromomethyl)-2-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethanol

C14H16BrNO2S — CID 126832340

IUPAC2-[2-[5-(bromomethyl)-2-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethanol
SMILESCOc1ccc(CBr)cc1-c1nc(CCO)c(C)s1
InChIInChI=1S/C14H16BrNO2S/c1-9-12(5-6-17)16-14(19-9)11-7-10(8-15)3-4-13(11)18-2/h3-4,7,17H,5-6,8H2,1-2H3
InChIKeyKFISUDMJBYUJKC-UHFFFAOYSA-N
MW342.26 g/mol
LogP3.56
Rot. Bonds5

About 2-[2-[5-(bromomethyl)-2-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethanol

2-[2-[5-(bromomethyl)-2-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethanol (PubChem CID 126832340) has the molecular formula C14H16BrNO2S and a molecular weight of 342.26 g/mol. Its IUPAC name is 2-[2-[5-(bromomethyl)-2-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-[5-(bromomethyl)-2-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethanol
PubChem CID126832340
Molecular FormulaC14H16BrNO2S
Molecular Weight342.26 g/mol
Exact Mass341.01
IUPAC Name2-[2-[5-(bromomethyl)-2-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethanol
SMILESCOc1ccc(CBr)cc1-c1nc(CCO)c(C)s1
InChIInChI=1S/C14H16BrNO2S/c1-9-12(5-6-17)16-14(19-9)11-7-10(8-15)3-4-13(11)18-2/h3-4,7,17H,5-6,8H2,1-2H3
InChIKeyKFISUDMJBYUJKC-UHFFFAOYSA-N
XLogP3.56
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[5-(bromomethyl)-2-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethanol with MolForge

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Related Compounds

4-(bromomethyl)-1-methoxy-2-phenylbenzene
CID 143810171
2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]ethanol
CID 22647624
2-[2-(2-methoxy-5-methylphenyl)-1,3-thiazol-4-yl]ethanol
CID 82087185
2-(4-methoxy-3-phenylphenyl)ethanol
CID 117328990
[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol
CID 117098981
2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-5-yl]ethanol
CID 116852089
[3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol
CID 642903
[5-(bromomethyl)-2-methoxyphenyl]boronic acid
CID 100973715
2-(5-bromo-2-methoxyphenyl)-4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole
CID 112769638
2-(5-bromo-2-methoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887531
[2-(2,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol
CID 82430342
2-(bromomethyl)-4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole
CID 116970303

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(bromomethyl)-2-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 2-[2-[5-(bromomethyl)-2-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethanol (CID 126832340) is 2-[2-[5-(bromomethyl)-2-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 2-[2-[5-(bromomethyl)-2-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 2-[2-[5-(bromomethyl)-2-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethanol is COc1ccc(CBr)cc1-c1nc(CCO)c(C)s1.
What is the InChIKey of 2-[2-[5-(bromomethyl)-2-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethanol?
The InChIKey is KFISUDMJBYUJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2S/c1-9-12(5-6-17)16-14(19-9)11-7-10(8-15)3-4-13(11)18-2/h3-4,7,17H,5-6,8H2,1-2H3.
What are the key properties of 2-[2-[5-(bromomethyl)-2-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethanol?
2-[2-[5-(bromomethyl)-2-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethanol has a molecular weight of 342.26 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(bromomethyl)-2-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 126832340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).