2-amino-1,3-thiazole-5-carbaldehyde;hydrobromide

C4H5BrN2OS — CID 20544503

IUPAC2-amino-1,3-thiazole-5-carbaldehyde;hydrobromide
SMILESBr.Nc1ncc(C=O)s1
InChIInChI=1S/C4H4N2OS.BrH/c5-4-6-1-3(2-7)8-4;/h1-2H,(H2,5,6);1H
InChIKeyCNLIOMRKVFLKBQ-UHFFFAOYSA-N
MW209.07 g/mol
LogP1.12
Rot. Bonds1

About 2-amino-1,3-thiazole-5-carbaldehyde;hydrobromide

2-amino-1,3-thiazole-5-carbaldehyde;hydrobromide (PubChem CID 20544503) has the molecular formula C4H5BrN2OS and a molecular weight of 209.07 g/mol. Its IUPAC name is 2-amino-1,3-thiazole-5-carbaldehyde;hydrobromide.

Molecular Properties

Compound Name2-amino-1,3-thiazole-5-carbaldehyde;hydrobromide
PubChem CID20544503
Molecular FormulaC4H5BrN2OS
Molecular Weight209.07 g/mol
Exact Mass207.93
IUPAC Name2-amino-1,3-thiazole-5-carbaldehyde;hydrobromide
SMILESBr.Nc1ncc(C=O)s1
InChIInChI=1S/C4H4N2OS.BrH/c5-4-6-1-3(2-7)8-4;/h1-2H,(H2,5,6);1H
InChIKeyCNLIOMRKVFLKBQ-UHFFFAOYSA-N
XLogP1.12
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.07
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3-thiazole-5-carbaldehyde;hydrobromide?
The IUPAC name of 2-amino-1,3-thiazole-5-carbaldehyde;hydrobromide (CID 20544503) is 2-amino-1,3-thiazole-5-carbaldehyde;hydrobromide.
What is the SMILES notation for 2-amino-1,3-thiazole-5-carbaldehyde;hydrobromide?
The canonical SMILES for 2-amino-1,3-thiazole-5-carbaldehyde;hydrobromide is Br.Nc1ncc(C=O)s1.
What is the InChIKey of 2-amino-1,3-thiazole-5-carbaldehyde;hydrobromide?
The InChIKey is CNLIOMRKVFLKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2OS.BrH/c5-4-6-1-3(2-7)8-4;/h1-2H,(H2,5,6);1H.
What are the key properties of 2-amino-1,3-thiazole-5-carbaldehyde;hydrobromide?
2-amino-1,3-thiazole-5-carbaldehyde;hydrobromide has a molecular weight of 209.07 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3-thiazole-5-carbaldehyde;hydrobromide is sourced from PubChem (CID 20544503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).