4-(bromomethyl)-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole

C12H12BrNOS — CID 67979674

IUPAC4-(bromomethyl)-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole
SMILESCOc1cccc(-c2sc(C)nc2CBr)c1
InChIInChI=1S/C12H12BrNOS/c1-8-14-11(7-13)12(16-8)9-4-3-5-10(6-9)15-2/h3-6H,7H2,1-2H3
InChIKeyRYTFGGNKPZYEFI-UHFFFAOYSA-N
MW298.21 g/mol
LogP4.02
Rot. Bonds3

About 4-(bromomethyl)-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole

4-(bromomethyl)-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole (PubChem CID 67979674) has the molecular formula C12H12BrNOS and a molecular weight of 298.21 g/mol. Its IUPAC name is 4-(bromomethyl)-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole
PubChem CID67979674
Molecular FormulaC12H12BrNOS
Molecular Weight298.21 g/mol
Exact Mass296.98
IUPAC Name4-(bromomethyl)-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole
SMILESCOc1cccc(-c2sc(C)nc2CBr)c1
InChIInChI=1S/C12H12BrNOS/c1-8-14-11(7-13)12(16-8)9-4-3-5-10(6-9)15-2/h3-6H,7H2,1-2H3
InChIKeyRYTFGGNKPZYEFI-UHFFFAOYSA-N
XLogP4.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-2-methyl-5-phenyl-1,3-thiazole
CID 130090867
6-[4-(hydroxymethyl)-2-methyl-1,3-thiazol-5-yl]naphthalen-2-ol
CID 167980409
2,5-bis(3-methoxyphenyl)-3-methylthiophene
CID 123497172
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
2-chloro-5-(3-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 54307577
N-(2-aminoethyl)-N-cyclopropyl-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 68724103
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
5-(4-fluorophenyl)-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole
CID 118152375
4-bromo-5-(3-methoxyphenyl)-1,3-thiazole
CID 66520687
3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine;hydrochloride
CID 75485647
5-methoxy-2-(3-methoxyphenyl)-4-methyl-1,3-thiazole
CID 116887585

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(bromomethyl)-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole (CID 67979674) is 4-(bromomethyl)-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(bromomethyl)-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(bromomethyl)-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole is COc1cccc(-c2sc(C)nc2CBr)c1.
What is the InChIKey of 4-(bromomethyl)-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole?
The InChIKey is RYTFGGNKPZYEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c1-8-14-11(7-13)12(16-8)9-4-3-5-10(6-9)15-2/h3-6H,7H2,1-2H3.
What are the key properties of 4-(bromomethyl)-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole?
4-(bromomethyl)-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole has a molecular weight of 298.21 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 67979674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).