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

C8H11NOS — CID 118654121

IUPAC2-methyl-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(C)sc1C=O
InChIInChI=1S/C8H11NOS/c1-3-4-7-8(5-10)11-6(2)9-7/h5H,3-4H2,1-2H3
InChIKeyBKXUUUPBLYQICU-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.22
Rot. Bonds3

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

2-methyl-4-propyl-1,3-thiazole-5-carbaldehyde (PubChem CID 118654121) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-methyl-4-propyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-methyl-4-propyl-1,3-thiazole-5-carbaldehyde
PubChem CID118654121
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name2-methyl-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(C)sc1C=O
InChIInChI=1S/C8H11NOS/c1-3-4-7-8(5-10)11-6(2)9-7/h5H,3-4H2,1-2H3
InChIKeyBKXUUUPBLYQICU-UHFFFAOYSA-N
XLogP2.22
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-methyl-4-propyl-1,3-thiazole-5-carbaldehyde (CID 118654121) is 2-methyl-4-propyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-methyl-4-propyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-methyl-4-propyl-1,3-thiazole-5-carbaldehyde is CCCc1nc(C)sc1C=O.
What is the InChIKey of 2-methyl-4-propyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is BKXUUUPBLYQICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-3-4-7-8(5-10)11-6(2)9-7/h5H,3-4H2,1-2H3.
What are the key properties of 2-methyl-4-propyl-1,3-thiazole-5-carbaldehyde?
2-methyl-4-propyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 169.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 118654121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).