2-(2,4-dimethyl-1,3-thiazol-5-yl)acetaldehyde

C7H9NOS — CID 87669316

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)acetaldehyde
SMILESCc1nc(C)c(CC=O)s1
InChIInChI=1S/C7H9NOS/c1-5-7(3-4-9)10-6(2)8-5/h4H,3H2,1-2H3
InChIKeyMQAYYJDHUUVBCD-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.50
Rot. Bonds2

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetaldehyde

2-(2,4-dimethyl-1,3-thiazol-5-yl)acetaldehyde (PubChem CID 87669316) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)acetaldehyde
PubChem CID87669316
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)acetaldehyde
SMILESCc1nc(C)c(CC=O)s1
InChIInChI=1S/C7H9NOS/c1-5-7(3-4-9)10-6(2)8-5/h4H,3H2,1-2H3
InChIKeyMQAYYJDHUUVBCD-UHFFFAOYSA-N
XLogP1.50
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,4-dimethyl-1,3-thiazol-5-yl)acetaldehyde?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetaldehyde (CID 87669316) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetaldehyde.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetaldehyde?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetaldehyde is Cc1nc(C)c(CC=O)s1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetaldehyde?
The InChIKey is MQAYYJDHUUVBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-5-7(3-4-9)10-6(2)8-5/h4H,3H2,1-2H3.
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetaldehyde?
2-(2,4-dimethyl-1,3-thiazol-5-yl)acetaldehyde has a molecular weight of 155.22 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetaldehyde is sourced from PubChem (CID 87669316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).