azane;1,3-thiazole-2-carbaldehyde

C4H6N2OS — CID 87118985

IUPACazane;1,3-thiazole-2-carbaldehyde
SMILESN.O=Cc1nccs1
InChIInChI=1S/C4H3NOS.H3N/c6-3-4-5-1-2-7-4;/h1-3H;1H3
InChIKeyQAMYTWMXXYNPRP-UHFFFAOYSA-N
MW130.17 g/mol
LogP1.12
Rot. Bonds1

About azane;1,3-thiazole-2-carbaldehyde

azane;1,3-thiazole-2-carbaldehyde (PubChem CID 87118985) has the molecular formula C4H6N2OS and a molecular weight of 130.17 g/mol. Its IUPAC name is azane;1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Nameazane;1,3-thiazole-2-carbaldehyde
PubChem CID87118985
Molecular FormulaC4H6N2OS
Molecular Weight130.17 g/mol
Exact Mass130.02
IUPAC Nameazane;1,3-thiazole-2-carbaldehyde
SMILESN.O=Cc1nccs1
InChIInChI=1S/C4H3NOS.H3N/c6-3-4-5-1-2-7-4;/h1-3H;1H3
InChIKeyQAMYTWMXXYNPRP-UHFFFAOYSA-N
XLogP1.12
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
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 azane;1,3-thiazole-2-carbaldehyde?
The IUPAC name of azane;1,3-thiazole-2-carbaldehyde (CID 87118985) is azane;1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for azane;1,3-thiazole-2-carbaldehyde?
The canonical SMILES for azane;1,3-thiazole-2-carbaldehyde is N.O=Cc1nccs1.
What is the InChIKey of azane;1,3-thiazole-2-carbaldehyde?
The InChIKey is QAMYTWMXXYNPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NOS.H3N/c6-3-4-5-1-2-7-4;/h1-3H;1H3.
What are the key properties of azane;1,3-thiazole-2-carbaldehyde?
azane;1,3-thiazole-2-carbaldehyde has a molecular weight of 130.17 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 azane;1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 87118985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).