4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole

C12H12BrNOS — CID 82094625

IUPAC4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccccc1-c1nc(CCBr)cs1
InChIInChI=1S/C12H12BrNOS/c1-15-11-5-3-2-4-10(11)12-14-9(6-7-13)8-16-12/h2-5,8H,6-7H2,1H3
InChIKeyGUSHDASYFYMGRD-UHFFFAOYSA-N
MW298.20 g/mol
LogP3.76
Rot. Bonds4

About 4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole

4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole (PubChem CID 82094625) has the molecular formula C12H12BrNOS and a molecular weight of 298.20 g/mol. Its IUPAC name is 4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole
PubChem CID82094625
Molecular FormulaC12H12BrNOS
Molecular Weight298.20 g/mol
Exact Mass296.98
IUPAC Name4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccccc1-c1nc(CCBr)cs1
InChIInChI=1S/C12H12BrNOS/c1-15-11-5-3-2-4-10(11)12-14-9(6-7-13)8-16-12/h2-5,8H,6-7H2,1H3
InChIKeyGUSHDASYFYMGRD-UHFFFAOYSA-N
XLogP3.76
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 53.76
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

N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide
CID 110317372
2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 145341916
N-cyclopropyl-3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333079
4-chloro-2-(2-methoxyphenyl)-1,3-thiazole
CID 83158767
2-(2-methoxyphenyl)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole
CID 21151958
2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]ethanol
CID 110880723
4-[(4-fluorophenyl)sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole
CID 112775383
N-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopentanamine
CID 82516123
ethyl 2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 15336769
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-bromobenzoate
CID 16539995
2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole
CID 9405825
N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-thiophen-2-ylacetamide
CID 110317395

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole (CID 82094625) is 4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole is COc1ccccc1-c1nc(CCBr)cs1.
What is the InChIKey of 4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole?
The InChIKey is GUSHDASYFYMGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c1-15-11-5-3-2-4-10(11)12-14-9(6-7-13)8-16-12/h2-5,8H,6-7H2,1H3.
What are the key properties of 4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole?
4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole has a molecular weight of 298.20 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 82094625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).