1-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethylpyrrole

C12H14BrNS — CID 63925248

IUPAC1-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethylpyrrole
SMILESCc1cn(Cc2ccc(Br)s2)c(C)c1C
InChIInChI=1S/C12H14BrNS/c1-8-6-14(10(3)9(8)2)7-11-4-5-12(13)15-11/h4-6H,7H2,1-3H3
InChIKeyAAUACBNIUJUBLL-UHFFFAOYSA-N
MW284.22 g/mol
LogP4.29
Rot. Bonds2

About 1-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethylpyrrole

1-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethylpyrrole (PubChem CID 63925248) has the molecular formula C12H14BrNS and a molecular weight of 284.22 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethylpyrrole.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethylpyrrole
PubChem CID63925248
Molecular FormulaC12H14BrNS
Molecular Weight284.22 g/mol
Exact Mass283.00
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethylpyrrole
SMILESCc1cn(Cc2ccc(Br)s2)c(C)c1C
InChIInChI=1S/C12H14BrNS/c1-8-6-14(10(3)9(8)2)7-11-4-5-12(13)15-11/h4-6H,7H2,1-3H3
InChIKeyAAUACBNIUJUBLL-UHFFFAOYSA-N
XLogP4.29
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromothiophen-2-yl)methyl]-N,4-dimethylimidazol-2-amine
CID 106575525
1-[(5-bromothiophen-2-yl)methyl]-4-methylpyridin-2-one
CID 62961960
5-bromo-3-[(5-bromothiophen-2-yl)methyl]-6-methylpyrimidin-4-one
CID 66309812
1-[(5-bromothiophen-2-yl)methyl]-4-methyl-N-phenylimidazol-2-amine
CID 106575524
1-[(5-bromothiophen-2-yl)methyl]-4,5-diiodoimidazole
CID 130508233
3-[(5-bromothiophen-2-yl)methyl]-1H-imidazol-2-one
CID 103124095
1-[(5-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-one
CID 55733622
1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine
CID 677217
1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylpyrrolidine
CID 79037902
N-[[1-[(5-bromothiophen-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66401605
1-[(5-bromothiophen-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazine
CID 1376197
2-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,3-thiazole
CID 63926670

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethylpyrrole?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethylpyrrole (CID 63925248) is 1-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethylpyrrole.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethylpyrrole?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethylpyrrole is Cc1cn(Cc2ccc(Br)s2)c(C)c1C.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethylpyrrole?
The InChIKey is AAUACBNIUJUBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNS/c1-8-6-14(10(3)9(8)2)7-11-4-5-12(13)15-11/h4-6H,7H2,1-3H3.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethylpyrrole?
1-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethylpyrrole has a molecular weight of 284.22 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethylpyrrole is sourced from PubChem (CID 63925248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).