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

C4H6N2OS — CID 173073989

IUPAC2-amino-4,5-dihydro-1,3-thiazole-4-carbaldehyde
SMILESNC1=NC(C=O)CS1
InChIInChI=1S/C4H6N2OS/c5-4-6-3(1-7)2-8-4/h1,3H,2H2,(H2,5,6)
InChIKeyQALXZTMSYRABGG-UHFFFAOYSA-N
MW130.17 g/mol
LogP-0.38
Rot. Bonds1

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

2-amino-4,5-dihydro-1,3-thiazole-4-carbaldehyde (PubChem CID 173073989) has the molecular formula C4H6N2OS and a molecular weight of 130.17 g/mol. Its IUPAC name is 2-amino-4,5-dihydro-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-amino-4,5-dihydro-1,3-thiazole-4-carbaldehyde
PubChem CID173073989
Molecular FormulaC4H6N2OS
Molecular Weight130.17 g/mol
Exact Mass130.02
IUPAC Name2-amino-4,5-dihydro-1,3-thiazole-4-carbaldehyde
SMILESNC1=NC(C=O)CS1
InChIInChI=1S/C4H6N2OS/c5-4-6-3(1-7)2-8-4/h1,3H,2H2,(H2,5,6)
InChIKeyQALXZTMSYRABGG-UHFFFAOYSA-N
XLogP-0.38
TPSA55.45 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 ≤ 5-0.38
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-4,5-dihydro-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-amino-4,5-dihydro-1,3-thiazole-4-carbaldehyde (CID 173073989) is 2-amino-4,5-dihydro-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-amino-4,5-dihydro-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-amino-4,5-dihydro-1,3-thiazole-4-carbaldehyde is NC1=NC(C=O)CS1.
What is the InChIKey of 2-amino-4,5-dihydro-1,3-thiazole-4-carbaldehyde?
The InChIKey is QALXZTMSYRABGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS/c5-4-6-3(1-7)2-8-4/h1,3H,2H2,(H2,5,6).
What are the key properties of 2-amino-4,5-dihydro-1,3-thiazole-4-carbaldehyde?
2-amino-4,5-dihydro-1,3-thiazole-4-carbaldehyde has a molecular weight of 130.17 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dihydro-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 173073989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).