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

C6H7NO2S — CID 138991010

IUPAC4-methoxy-5-methyl-1,3-thiazole-2-carbaldehyde
SMILESCOc1nc(C=O)sc1C
InChIInChI=1S/C6H7NO2S/c1-4-6(9-2)7-5(3-8)10-4/h3H,1-2H3
InChIKeyGUOZDWUXNUOJIZ-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.27
Rot. Bonds2

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

4-methoxy-5-methyl-1,3-thiazole-2-carbaldehyde (PubChem CID 138991010) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 4-methoxy-5-methyl-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name4-methoxy-5-methyl-1,3-thiazole-2-carbaldehyde
PubChem CID138991010
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name4-methoxy-5-methyl-1,3-thiazole-2-carbaldehyde
SMILESCOc1nc(C=O)sc1C
InChIInChI=1S/C6H7NO2S/c1-4-6(9-2)7-5(3-8)10-4/h3H,1-2H3
InChIKeyGUOZDWUXNUOJIZ-UHFFFAOYSA-N
XLogP1.27
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.27
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 4-methoxy-5-methyl-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 4-methoxy-5-methyl-1,3-thiazole-2-carbaldehyde (CID 138991010) is 4-methoxy-5-methyl-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 4-methoxy-5-methyl-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 4-methoxy-5-methyl-1,3-thiazole-2-carbaldehyde is COc1nc(C=O)sc1C.
What is the InChIKey of 4-methoxy-5-methyl-1,3-thiazole-2-carbaldehyde?
The InChIKey is GUOZDWUXNUOJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-4-6(9-2)7-5(3-8)10-4/h3H,1-2H3.
What are the key properties of 4-methoxy-5-methyl-1,3-thiazole-2-carbaldehyde?
4-methoxy-5-methyl-1,3-thiazole-2-carbaldehyde has a molecular weight of 157.19 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-methyl-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 138991010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).