(1S)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-thiophen-3-ylethanamine

C14H14BrN3S — CID 97230453

IUPAC(1S)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-thiophen-3-ylethanamine
SMILESC[C@H](NCc1cn2cc(Br)ccc2n1)c1ccsc1
InChIInChI=1S/C14H14BrN3S/c1-10(11-4-5-19-9-11)16-6-13-8-18-7-12(15)2-3-14(18)17-13/h2-5,7-10,16H,6H2,1H3/t10-/m0/s1
InChIKeyUYSVOWPGRLCWSS-JTQLQIEISA-N
MW336.26 g/mol
LogP4.01
Rot. Bonds4

About (1S)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-thiophen-3-ylethanamine

(1S)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-thiophen-3-ylethanamine (PubChem CID 97230453) has the molecular formula C14H14BrN3S and a molecular weight of 336.26 g/mol. Its IUPAC name is (1S)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-thiophen-3-ylethanamine
PubChem CID97230453
Molecular FormulaC14H14BrN3S
Molecular Weight336.26 g/mol
Exact Mass335.01
IUPAC Name(1S)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-thiophen-3-ylethanamine
SMILESC[C@H](NCc1cn2cc(Br)ccc2n1)c1ccsc1
InChIInChI=1S/C14H14BrN3S/c1-10(11-4-5-19-9-11)16-6-13-8-18-7-12(15)2-3-14(18)17-13/h2-5,7-10,16H,6H2,1H3/t10-/m0/s1
InChIKeyUYSVOWPGRLCWSS-JTQLQIEISA-N
XLogP4.01
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-thiophen-3-ylethanamine with MolForge

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Related Compounds

1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111939954
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-chlorophenyl)ethanamine
CID 78818376
3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride
CID 119860105
(1R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 81348736
(1S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 115331752
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pentanamide
CID 47343482
(6-bromoimidazo[1,2-a]pyridin-2-yl)methanethiol
CID 117256103
N-[(1-methylpyrrol-3-yl)methyl]-1-thiophen-3-ylethanamine
CID 66397715
N-[(1-phenylpyrazol-3-yl)methyl]-1-thiophen-3-ylethanamine
CID 62884999
(2R)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-ethoxyethoxy)propanamide
CID 52531312
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 126817901
N-[(4,5-dibromothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 102835571

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-thiophen-3-ylethanamine?
The IUPAC name of (1S)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-thiophen-3-ylethanamine (CID 97230453) is (1S)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for (1S)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for (1S)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-thiophen-3-ylethanamine is C[C@H](NCc1cn2cc(Br)ccc2n1)c1ccsc1.
What is the InChIKey of (1S)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-thiophen-3-ylethanamine?
The InChIKey is UYSVOWPGRLCWSS-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14BrN3S/c1-10(11-4-5-19-9-11)16-6-13-8-18-7-12(15)2-3-14(18)17-13/h2-5,7-10,16H,6H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-thiophen-3-ylethanamine?
(1S)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-thiophen-3-ylethanamine has a molecular weight of 336.26 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 97230453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).