(5-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine

C12H10BrN3S — CID 93206666

IUPAC(5-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine
SMILESNCc1c(-c2cccs2)nc2cccc(Br)n12
InChIInChI=1S/C12H10BrN3S/c13-10-4-1-5-11-15-12(8(7-14)16(10)11)9-3-2-6-17-9/h1-6H,7,14H2
InChIKeyBURAUIGNMPZWHC-UHFFFAOYSA-N
MW308.20 g/mol
LogP3.28
Rot. Bonds2

About (5-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine

(5-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine (PubChem CID 93206666) has the molecular formula C12H10BrN3S and a molecular weight of 308.20 g/mol. Its IUPAC name is (5-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine
PubChem CID93206666
Molecular FormulaC12H10BrN3S
Molecular Weight308.20 g/mol
Exact Mass306.98
IUPAC Name(5-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine
SMILESNCc1c(-c2cccs2)nc2cccc(Br)n12
InChIInChI=1S/C12H10BrN3S/c13-10-4-1-5-11-15-12(8(7-14)16(10)11)9-3-2-6-17-9/h1-6H,7,14H2
InChIKeyBURAUIGNMPZWHC-UHFFFAOYSA-N
XLogP3.28
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[3-(4-fluorophenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196558
3-benzyl-2-thiophen-2-ylimidazo[1,2-a]pyridine
CID 56933914
5-bromo-3-(chloromethyl)-2-methylimidazo[1,2-a]pyridine
CID 82060520
[6-(4-methoxyphenyl)-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196674
(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine
CID 28709445
[5-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 82342843
2-(3-pyridin-4-yl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062566
(2-methyl-4-thiophen-2-yl-1H-imidazol-5-yl)methanamine
CID 82281661
[2-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199340
5-(aminomethyl)-2-hydrazinyl-3-methyl-6-thiophen-2-ylpyrimidin-4-one
CID 170875448
7-(chloromethyl)-3-ethyl-2-thiophen-2-ylimidazo[1,2-a]pyridine
CID 82064405
5-bromo-4,6-dithiophen-2-ylpyrimidine
CID 134693324

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine?
The IUPAC name of (5-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine (CID 93206666) is (5-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine.
What is the SMILES notation for (5-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine?
The canonical SMILES for (5-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine is NCc1c(-c2cccs2)nc2cccc(Br)n12.
What is the InChIKey of (5-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine?
The InChIKey is BURAUIGNMPZWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3S/c13-10-4-1-5-11-15-12(8(7-14)16(10)11)9-3-2-6-17-9/h1-6H,7,14H2.
What are the key properties of (5-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine?
(5-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine has a molecular weight of 308.20 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine is sourced from PubChem (CID 93206666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).