[amino-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]methylidene]azanium bromide

C9H10Br2N4S — CID 45129671

IUPAC[amino-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]methylidene]azanium bromide
SMILESNC(=[NH2+])SCc1nc2ccccn2c1Br.[Br-]
InChIInChI=1S/C9H9BrN4S.BrH/c10-8-6(5-15-9(11)12)13-7-3-1-2-4-14(7)8;/h1-4H,5H2,(H3,11,12);1H
InChIKeyZTJXFTWAICUQHP-UHFFFAOYSA-N
MW366.08 g/mol
LogP-2.59
Rot. Bonds2

About [amino-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]methylidene]azanium bromide

[amino-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]methylidene]azanium bromide (PubChem CID 45129671) has the molecular formula C9H10Br2N4S and a molecular weight of 366.08 g/mol. Its IUPAC name is [amino-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]methylidene]azanium bromide.

Molecular Properties

Compound Name[amino-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]methylidene]azanium bromide
PubChem CID45129671
Molecular FormulaC9H10Br2N4S
Molecular Weight366.08 g/mol
Exact Mass363.90
IUPAC Name[amino-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]methylidene]azanium bromide
SMILESNC(=[NH2+])SCc1nc2ccccn2c1Br.[Br-]
InChIInChI=1S/C9H9BrN4S.BrH/c10-8-6(5-15-9(11)12)13-7-3-1-2-4-14(7)8;/h1-4H,5H2,(H3,11,12);1H
InChIKeyZTJXFTWAICUQHP-UHFFFAOYSA-N
XLogP-2.59
TPSA68.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.08
LogP ≤ 5-2.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]phthalazine
CID 4277891
3-bromoimidazo[1,2-a]pyridine-2-carboxamide
CID 154211458
N'-[2-(3-bromoimidazo[1,2-a]pyridin-2-yl)acetyl]-2-methylpropanehydrazide
CID 154789281
3-bromo-2-ethylimidazo[1,2-a]pyridine;2-ethylimidazo[1,2-a]pyridine
CID 159450021
2-benzylimidazo[1,2-a]pyridine-3-carbothioamide
CID 82223056
3-bromo-2-[(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]imidazo[1,2-a]pyridine
CID 166210907
3-bromo-2-(2-hydroxyethyl)pyrido[1,2-a]pyrimidin-4-one
CID 67509636
2-ethylimidazo[1,2-a]pyridin-3-amine
CID 63617913
3-bromoimidazo[1,2-a]pyridine-2-carbaldehyde
CID 2748881
2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine
CID 59589453
3-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one;(3-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl acetate
CID 161408506
2-benzylimidazo[1,2-a]pyridin-3-ol
CID 175985122

Frequently Asked Questions

What is the IUPAC name of [amino-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]methylidene]azanium bromide?
The IUPAC name of [amino-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]methylidene]azanium bromide (CID 45129671) is [amino-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]methylidene]azanium bromide.
What is the SMILES notation for [amino-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]methylidene]azanium bromide?
The canonical SMILES for [amino-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]methylidene]azanium bromide is NC(=[NH2+])SCc1nc2ccccn2c1Br.[Br-].
What is the InChIKey of [amino-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]methylidene]azanium bromide?
The InChIKey is ZTJXFTWAICUQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4S.BrH/c10-8-6(5-15-9(11)12)13-7-3-1-2-4-14(7)8;/h1-4H,5H2,(H3,11,12);1H.
What are the key properties of [amino-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]methylidene]azanium bromide?
[amino-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]methylidene]azanium bromide has a molecular weight of 366.08 g/mol, XLogP of -2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[(3-bromoimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]methylidene]azanium bromide is sourced from PubChem (CID 45129671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).