2-(2-bromo-6-fluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole

C12H11BrFNO2S — CID 114884550

IUPAC2-(2-bromo-6-fluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole
SMILESCOC(OC)c1csc(-c2c(F)cccc2Br)n1
InChIInChI=1S/C12H11BrFNO2S/c1-16-12(17-2)9-6-18-11(15-9)10-7(13)4-3-5-8(10)14/h3-6,12H,1-2H3
InChIKeyOBUDFCNKSUEXCU-UHFFFAOYSA-N
MW332.19 g/mol
LogP4.00
Rot. Bonds4

About 2-(2-bromo-6-fluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole

2-(2-bromo-6-fluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole (PubChem CID 114884550) has the molecular formula C12H11BrFNO2S and a molecular weight of 332.19 g/mol. Its IUPAC name is 2-(2-bromo-6-fluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-bromo-6-fluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole
PubChem CID114884550
Molecular FormulaC12H11BrFNO2S
Molecular Weight332.19 g/mol
Exact Mass330.97
IUPAC Name2-(2-bromo-6-fluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole
SMILESCOC(OC)c1csc(-c2c(F)cccc2Br)n1
InChIInChI=1S/C12H11BrFNO2S/c1-16-12(17-2)9-6-18-11(15-9)10-7(13)4-3-5-8(10)14/h3-6,12H,1-2H3
InChIKeyOBUDFCNKSUEXCU-UHFFFAOYSA-N
XLogP4.00
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(dimethoxymethyl)-2-(2-fluorophenyl)-1,3-thiazole
CID 66054356
2-(2-bromo-4-fluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole
CID 107280422
4-(dimethoxymethyl)-2-(4-fluoro-2-methylphenyl)-1,3-thiazole
CID 81274426
ethyl 2-(2-bromo-6-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 114884535
4-(dimethoxymethyl)-2-(3-methylphenyl)-1,3-thiazole
CID 66057136
2-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]aniline
CID 114887574
4-(dimethoxymethyl)-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
CID 114016215
1-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]-2-chloroethanone
CID 114884533
1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]ethanol
CID 64544730
4-[4-(dimethoxymethyl)-1,3-thiazol-2-yl]phenol
CID 136889074
5-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 114884542
4-chloro-2-(2,6-difluorophenyl)-1,3-thiazole
CID 83158211

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole?
The IUPAC name of 2-(2-bromo-6-fluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole (CID 114884550) is 2-(2-bromo-6-fluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-bromo-6-fluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole?
The canonical SMILES for 2-(2-bromo-6-fluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole is COC(OC)c1csc(-c2c(F)cccc2Br)n1.
What is the InChIKey of 2-(2-bromo-6-fluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole?
The InChIKey is OBUDFCNKSUEXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO2S/c1-16-12(17-2)9-6-18-11(15-9)10-7(13)4-3-5-8(10)14/h3-6,12H,1-2H3.
What are the key properties of 2-(2-bromo-6-fluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole?
2-(2-bromo-6-fluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole has a molecular weight of 332.19 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluorophenyl)-4-(dimethoxymethyl)-1,3-thiazole is sourced from PubChem (CID 114884550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).