6-bromo-2-(5-tert-butylthiophen-2-yl)-8-methylimidazo[1,2-a]pyridin-3-amine

C16H18BrN3S — CID 83169661

IUPAC6-bromo-2-(5-tert-butylthiophen-2-yl)-8-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1cc(Br)cn2c(N)c(-c3ccc(C(C)(C)C)s3)nc12
InChIInChI=1S/C16H18BrN3S/c1-9-7-10(17)8-20-14(18)13(19-15(9)20)11-5-6-12(21-11)16(2,3)4/h5-8H,18H2,1-4H3
InChIKeyRUSMFIKXPTWJQB-UHFFFAOYSA-N
MW364.31 g/mol
LogP5.01
Rot. Bonds1

About 6-bromo-2-(5-tert-butylthiophen-2-yl)-8-methylimidazo[1,2-a]pyridin-3-amine

6-bromo-2-(5-tert-butylthiophen-2-yl)-8-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 83169661) has the molecular formula C16H18BrN3S and a molecular weight of 364.31 g/mol. Its IUPAC name is 6-bromo-2-(5-tert-butylthiophen-2-yl)-8-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-2-(5-tert-butylthiophen-2-yl)-8-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID83169661
Molecular FormulaC16H18BrN3S
Molecular Weight364.31 g/mol
Exact Mass363.04
IUPAC Name6-bromo-2-(5-tert-butylthiophen-2-yl)-8-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1cc(Br)cn2c(N)c(-c3ccc(C(C)(C)C)s3)nc12
InChIInChI=1S/C16H18BrN3S/c1-9-7-10(17)8-20-14(18)13(19-15(9)20)11-5-6-12(21-11)16(2,3)4/h5-8H,18H2,1-4H3
InChIKeyRUSMFIKXPTWJQB-UHFFFAOYSA-N
XLogP5.01
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.31
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-(4,5-dibromothiophen-2-yl)-8-methylimidazo[1,2-a]pyridin-3-amine
CID 102844434
6-bromo-8-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 83171049
6-bromo-2-(4-chlorothiophen-2-yl)-8-methylimidazo[1,2-a]pyridin-3-amine
CID 83169941
6-bromo-2-(furan-2-yl)-8-methylimidazo[1,2-a]pyridin-3-amine
CID 83171050
2-(5-tert-butylthiophen-2-yl)-8-chloroimidazo[1,2-a]pyridin-3-amine
CID 103095014
2-(3-amino-6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
CID 107936784
6-bromo-2-(4,5-dibromofuran-2-yl)-8-methylimidazo[1,2-a]pyridin-3-amine
CID 83170495
6-bromo-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
CID 83168312
2-benzyl-6-bromo-8-methylimidazo[1,2-a]pyridin-3-amine
CID 83170655
6-bromo-2-(2-fluorophenyl)-3,8-dimethylimidazo[1,2-a]pyridine
CID 112680454
6-bromo-2-butan-2-yl-8-methylimidazo[1,2-a]pyridin-3-amine
CID 83171128
6-bromo-2-(furan-2-yl)-3,8-dimethylimidazo[1,2-a]pyridine
CID 83170422

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(5-tert-butylthiophen-2-yl)-8-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-bromo-2-(5-tert-butylthiophen-2-yl)-8-methylimidazo[1,2-a]pyridin-3-amine (CID 83169661) is 6-bromo-2-(5-tert-butylthiophen-2-yl)-8-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-bromo-2-(5-tert-butylthiophen-2-yl)-8-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-bromo-2-(5-tert-butylthiophen-2-yl)-8-methylimidazo[1,2-a]pyridin-3-amine is Cc1cc(Br)cn2c(N)c(-c3ccc(C(C)(C)C)s3)nc12.
What is the InChIKey of 6-bromo-2-(5-tert-butylthiophen-2-yl)-8-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is RUSMFIKXPTWJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3S/c1-9-7-10(17)8-20-14(18)13(19-15(9)20)11-5-6-12(21-11)16(2,3)4/h5-8H,18H2,1-4H3.
What are the key properties of 6-bromo-2-(5-tert-butylthiophen-2-yl)-8-methylimidazo[1,2-a]pyridin-3-amine?
6-bromo-2-(5-tert-butylthiophen-2-yl)-8-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 364.31 g/mol, XLogP of 5.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(5-tert-butylthiophen-2-yl)-8-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 83169661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).