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

C6H7NO2S — CID 45121687

IUPAC2-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
SMILESCOCc1ncc(C=O)s1
InChIInChI=1S/C6H7NO2S/c1-9-4-6-7-2-5(3-8)10-6/h2-3H,4H2,1H3
InChIKeyMUSZWYGWCDSJBH-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.10
Rot. Bonds3

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

2-(methoxymethyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 45121687) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 2-(methoxymethyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
PubChem CID45121687
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name2-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
SMILESCOCc1ncc(C=O)s1
InChIInChI=1S/C6H7NO2S/c1-9-4-6-7-2-5(3-8)10-6/h2-3H,4H2,1H3
InChIKeyMUSZWYGWCDSJBH-UHFFFAOYSA-N
XLogP1.10
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.10
H-Bond Donors ≤ 50
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-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(methoxymethyl)-1,3-thiazole-5-carbaldehyde (CID 45121687) is 2-(methoxymethyl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(methoxymethyl)-1,3-thiazole-5-carbaldehyde is COCc1ncc(C=O)s1.
What is the InChIKey of 2-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is MUSZWYGWCDSJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-9-4-6-7-2-5(3-8)10-6/h2-3H,4H2,1H3.
What are the key properties of 2-(methoxymethyl)-1,3-thiazole-5-carbaldehyde?
2-(methoxymethyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 157.19 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 45121687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).