2-(methylamino)-1,3-thiazole-5-carbaldehyde

C5H6N2OS — CID 22081018

IUPAC2-(methylamino)-1,3-thiazole-5-carbaldehyde
SMILESCNc1ncc(C=O)s1
InChIInChI=1S/C5H6N2OS/c1-6-5-7-2-4(3-8)9-5/h2-3H,1H3,(H,6,7)
InChIKeyKSDJPXYNVMNEGZ-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.00
Rot. Bonds2

About 2-(methylamino)-1,3-thiazole-5-carbaldehyde

2-(methylamino)-1,3-thiazole-5-carbaldehyde (PubChem CID 22081018) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is 2-(methylamino)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(methylamino)-1,3-thiazole-5-carbaldehyde
PubChem CID22081018
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC Name2-(methylamino)-1,3-thiazole-5-carbaldehyde
SMILESCNc1ncc(C=O)s1
InChIInChI=1S/C5H6N2OS/c1-6-5-7-2-4(3-8)9-5/h2-3H,1H3,(H,6,7)
InChIKeyKSDJPXYNVMNEGZ-UHFFFAOYSA-N
XLogP1.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.00
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-(methylamino)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(methylamino)-1,3-thiazole-5-carbaldehyde (CID 22081018) is 2-(methylamino)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(methylamino)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(methylamino)-1,3-thiazole-5-carbaldehyde is CNc1ncc(C=O)s1.
What is the InChIKey of 2-(methylamino)-1,3-thiazole-5-carbaldehyde?
The InChIKey is KSDJPXYNVMNEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c1-6-5-7-2-4(3-8)9-5/h2-3H,1H3,(H,6,7).
What are the key properties of 2-(methylamino)-1,3-thiazole-5-carbaldehyde?
2-(methylamino)-1,3-thiazole-5-carbaldehyde has a molecular weight of 142.18 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 22081018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).