2-(3-bromophenyl)-4-(methoxymethyl)-4-methyl-5H-1,3-thiazole

C12H14BrNOS — CID 165499244

IUPAC2-(3-bromophenyl)-4-(methoxymethyl)-4-methyl-5H-1,3-thiazole
SMILESCOCC1(C)CSC(c2cccc(Br)c2)=N1
InChIInChI=1S/C12H14BrNOS/c1-12(7-15-2)8-16-11(14-12)9-4-3-5-10(13)6-9/h3-6H,7-8H2,1-2H3
InChIKeyHRTKOUKKPXROKI-UHFFFAOYSA-N
MW300.22 g/mol
LogP3.35
Rot. Bonds3

About 2-(3-bromophenyl)-4-(methoxymethyl)-4-methyl-5H-1,3-thiazole

2-(3-bromophenyl)-4-(methoxymethyl)-4-methyl-5H-1,3-thiazole (PubChem CID 165499244) has the molecular formula C12H14BrNOS and a molecular weight of 300.22 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-(methoxymethyl)-4-methyl-5H-1,3-thiazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-(methoxymethyl)-4-methyl-5H-1,3-thiazole
PubChem CID165499244
Molecular FormulaC12H14BrNOS
Molecular Weight300.22 g/mol
Exact Mass299.00
IUPAC Name2-(3-bromophenyl)-4-(methoxymethyl)-4-methyl-5H-1,3-thiazole
SMILESCOCC1(C)CSC(c2cccc(Br)c2)=N1
InChIInChI=1S/C12H14BrNOS/c1-12(7-15-2)8-16-11(14-12)9-4-3-5-10(13)6-9/h3-6H,7-8H2,1-2H3
InChIKeyHRTKOUKKPXROKI-UHFFFAOYSA-N
XLogP3.35
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromophenyl)-4-(methoxymethyl)-4-methyl-5H-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511692
4-(3-bromophenyl)-2-(methoxymethyl)-5-methyl-1,3-thiazole
CID 79840119
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
5-(3-bromophenyl)-2-cyclopropyl-4-methyl-1,3-thiazole
CID 70791136
2-(3-bromophenyl)-4-methoxy-1,3-thiazole
CID 116891841
1-bromo-3-phenylbenzene;ethane
CID 163977967
4-(3-bromophenyl)-1,2-dimethoxybenzene
CID 83666367
2-(3-bromophenyl)-2-(methoxymethyl)pyrrolidine
CID 117271922
1-bromo-3-[1-(methoxymethoxymethyl)cyclopropyl]benzene
CID 169228109
[5-(3-bromophenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine
CID 82134810
1-bromo-3-phenylbenzene
CID 16449
4-(3-bromophenyl)-2-[cyclopropyl(methoxy)methyl]-1,3-thiazole
CID 116734465

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-(methoxymethyl)-4-methyl-5H-1,3-thiazole?
The IUPAC name of 2-(3-bromophenyl)-4-(methoxymethyl)-4-methyl-5H-1,3-thiazole (CID 165499244) is 2-(3-bromophenyl)-4-(methoxymethyl)-4-methyl-5H-1,3-thiazole.
What is the SMILES notation for 2-(3-bromophenyl)-4-(methoxymethyl)-4-methyl-5H-1,3-thiazole?
The canonical SMILES for 2-(3-bromophenyl)-4-(methoxymethyl)-4-methyl-5H-1,3-thiazole is COCC1(C)CSC(c2cccc(Br)c2)=N1.
What is the InChIKey of 2-(3-bromophenyl)-4-(methoxymethyl)-4-methyl-5H-1,3-thiazole?
The InChIKey is HRTKOUKKPXROKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNOS/c1-12(7-15-2)8-16-11(14-12)9-4-3-5-10(13)6-9/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-4-(methoxymethyl)-4-methyl-5H-1,3-thiazole?
2-(3-bromophenyl)-4-(methoxymethyl)-4-methyl-5H-1,3-thiazole has a molecular weight of 300.22 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-(methoxymethyl)-4-methyl-5H-1,3-thiazole is sourced from PubChem (CID 165499244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).