5-[(5-bromothiophen-2-yl)methyl]-1-[(2,4-dimethoxyphenyl)methyl]triazole

C16H16BrN3O2S — CID 141269663

IUPAC5-[(5-bromothiophen-2-yl)methyl]-1-[(2,4-dimethoxyphenyl)methyl]triazole
SMILESCOc1ccc(Cn2nncc2Cc2ccc(Br)s2)c(OC)c1
InChIInChI=1S/C16H16BrN3O2S/c1-21-13-4-3-11(15(8-13)22-2)10-20-12(9-18-19-20)7-14-5-6-16(17)23-14/h3-6,8-9H,7,10H2,1-2H3
InChIKeyOGDDQQBNXSCXGM-UHFFFAOYSA-N
MW394.29 g/mol
LogP3.76
Rot. Bonds6

About 5-[(5-bromothiophen-2-yl)methyl]-1-[(2,4-dimethoxyphenyl)methyl]triazole

5-[(5-bromothiophen-2-yl)methyl]-1-[(2,4-dimethoxyphenyl)methyl]triazole (PubChem CID 141269663) has the molecular formula C16H16BrN3O2S and a molecular weight of 394.29 g/mol. Its IUPAC name is 5-[(5-bromothiophen-2-yl)methyl]-1-[(2,4-dimethoxyphenyl)methyl]triazole.

Molecular Properties

Compound Name5-[(5-bromothiophen-2-yl)methyl]-1-[(2,4-dimethoxyphenyl)methyl]triazole
PubChem CID141269663
Molecular FormulaC16H16BrN3O2S
Molecular Weight394.29 g/mol
Exact Mass393.01
IUPAC Name5-[(5-bromothiophen-2-yl)methyl]-1-[(2,4-dimethoxyphenyl)methyl]triazole
SMILESCOc1ccc(Cn2nncc2Cc2ccc(Br)s2)c(OC)c1
InChIInChI=1S/C16H16BrN3O2S/c1-21-13-4-3-11(15(8-13)22-2)10-20-12(9-18-19-20)7-14-5-6-16(17)23-14/h3-6,8-9H,7,10H2,1-2H3
InChIKeyOGDDQQBNXSCXGM-UHFFFAOYSA-N
XLogP3.76
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(5-bromothiophen-2-yl)methyl]-1-[(2,4-dimethoxyphenyl)methyl]triazole 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

N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 60743938
2-(5-bromothiophen-2-yl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114967385
1-[2-[(5-bromothiophen-2-yl)methoxy]-4-methoxyphenyl]-N-methylethanamine
CID 82000633
methyl 4-bromo-1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpyrazole-5-carboxylate
CID 164898299
1-[3-[(2,4-dimethoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 66149526
1-[(2,4-dimethoxyphenyl)methyl]pyrrole
CID 63363175
2-bromo-5-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene
CID 43268075
3-[(2,4-dimethoxyphenyl)methyl]-1H-quinazoline-2,4-dione
CID 56771696
2-[(2,4-dimethoxyphenyl)methyl]-3H-1,2,4-thiadiazole
CID 150222873
N-[[1-[(2,4-dimethoxyphenyl)methyl]tetrazol-5-yl]methyl]propan-2-amine
CID 63362886
1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 1222780
(2,4-dimethoxyphenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038798

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromothiophen-2-yl)methyl]-1-[(2,4-dimethoxyphenyl)methyl]triazole?
The IUPAC name of 5-[(5-bromothiophen-2-yl)methyl]-1-[(2,4-dimethoxyphenyl)methyl]triazole (CID 141269663) is 5-[(5-bromothiophen-2-yl)methyl]-1-[(2,4-dimethoxyphenyl)methyl]triazole.
What is the SMILES notation for 5-[(5-bromothiophen-2-yl)methyl]-1-[(2,4-dimethoxyphenyl)methyl]triazole?
The canonical SMILES for 5-[(5-bromothiophen-2-yl)methyl]-1-[(2,4-dimethoxyphenyl)methyl]triazole is COc1ccc(Cn2nncc2Cc2ccc(Br)s2)c(OC)c1.
What is the InChIKey of 5-[(5-bromothiophen-2-yl)methyl]-1-[(2,4-dimethoxyphenyl)methyl]triazole?
The InChIKey is OGDDQQBNXSCXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2S/c1-21-13-4-3-11(15(8-13)22-2)10-20-12(9-18-19-20)7-14-5-6-16(17)23-14/h3-6,8-9H,7,10H2,1-2H3.
What are the key properties of 5-[(5-bromothiophen-2-yl)methyl]-1-[(2,4-dimethoxyphenyl)methyl]triazole?
5-[(5-bromothiophen-2-yl)methyl]-1-[(2,4-dimethoxyphenyl)methyl]triazole has a molecular weight of 394.29 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromothiophen-2-yl)methyl]-1-[(2,4-dimethoxyphenyl)methyl]triazole is sourced from PubChem (CID 141269663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).