(2-phenyl-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-yl)azanide;hydrobromide

C13H11BrN2S — CID 45266213

IUPAC(2-phenyl-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-yl)azanide;hydrobromide
SMILESBr.[NH-]c1c(-c2ccccc2)sc2cccc[n+]12
InChIInChI=1S/C13H10N2S.BrH/c14-13-12(10-6-2-1-3-7-10)16-11-8-4-5-9-15(11)13;/h1-9,14H;1H
InChIKeyUABQRKLACKFVFH-UHFFFAOYSA-N
MW307.22 g/mol
LogP4.42
Rot. Bonds1

About (2-phenyl-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-yl)azanide;hydrobromide

(2-phenyl-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-yl)azanide;hydrobromide (PubChem CID 45266213) has the molecular formula C13H11BrN2S and a molecular weight of 307.22 g/mol. Its IUPAC name is (2-phenyl-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-yl)azanide;hydrobromide.

Molecular Properties

Compound Name(2-phenyl-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-yl)azanide;hydrobromide
PubChem CID45266213
Molecular FormulaC13H11BrN2S
Molecular Weight307.22 g/mol
Exact Mass305.98
IUPAC Name(2-phenyl-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-yl)azanide;hydrobromide
SMILESBr.[NH-]c1c(-c2ccccc2)sc2cccc[n+]12
InChIInChI=1S/C13H10N2S.BrH/c14-13-12(10-6-2-1-3-7-10)16-11-8-4-5-9-15(11)13;/h1-9,14H;1H
InChIKeyUABQRKLACKFVFH-UHFFFAOYSA-N
XLogP4.42
TPSA27.90 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-yl)azanide;hydrobromide?
The IUPAC name of (2-phenyl-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-yl)azanide;hydrobromide (CID 45266213) is (2-phenyl-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-yl)azanide;hydrobromide.
What is the SMILES notation for (2-phenyl-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-yl)azanide;hydrobromide?
The canonical SMILES for (2-phenyl-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-yl)azanide;hydrobromide is Br.[NH-]c1c(-c2ccccc2)sc2cccc[n+]12.
What is the InChIKey of (2-phenyl-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-yl)azanide;hydrobromide?
The InChIKey is UABQRKLACKFVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S.BrH/c14-13-12(10-6-2-1-3-7-10)16-11-8-4-5-9-15(11)13;/h1-9,14H;1H.
What are the key properties of (2-phenyl-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-yl)azanide;hydrobromide?
(2-phenyl-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-yl)azanide;hydrobromide has a molecular weight of 307.22 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-yl)azanide;hydrobromide is sourced from PubChem (CID 45266213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).