2-amino-5-methyl-1,3-thiazole-4-carbaldehyde

C5H6N2OS — CID 45083446

IUPAC2-amino-5-methyl-1,3-thiazole-4-carbaldehyde
SMILESCc1sc(N)nc1C=O
InChIInChI=1S/C5H6N2OS/c1-3-4(2-8)7-5(6)9-3/h2H,1H3,(H2,6,7)
InChIKeyVFZYAYKDKTZKMV-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.85
Rot. Bonds1

About 2-amino-5-methyl-1,3-thiazole-4-carbaldehyde

2-amino-5-methyl-1,3-thiazole-4-carbaldehyde (PubChem CID 45083446) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is 2-amino-5-methyl-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-amino-5-methyl-1,3-thiazole-4-carbaldehyde
PubChem CID45083446
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC Name2-amino-5-methyl-1,3-thiazole-4-carbaldehyde
SMILESCc1sc(N)nc1C=O
InChIInChI=1S/C5H6N2OS/c1-3-4(2-8)7-5(6)9-3/h2H,1H3,(H2,6,7)
InChIKeyVFZYAYKDKTZKMV-UHFFFAOYSA-N
XLogP0.85
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.85
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-5-methyl-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-amino-5-methyl-1,3-thiazole-4-carbaldehyde (CID 45083446) is 2-amino-5-methyl-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-amino-5-methyl-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-amino-5-methyl-1,3-thiazole-4-carbaldehyde is Cc1sc(N)nc1C=O.
What is the InChIKey of 2-amino-5-methyl-1,3-thiazole-4-carbaldehyde?
The InChIKey is VFZYAYKDKTZKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c1-3-4(2-8)7-5(6)9-3/h2H,1H3,(H2,6,7).
What are the key properties of 2-amino-5-methyl-1,3-thiazole-4-carbaldehyde?
2-amino-5-methyl-1,3-thiazole-4-carbaldehyde has a molecular weight of 142.18 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 45083446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).