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

C8H11NOS — CID 116867263

IUPAC5-methyl-4-propyl-1,3-thiazole-2-carbaldehyde
SMILESCCCc1nc(C=O)sc1C
InChIInChI=1S/C8H11NOS/c1-3-4-7-6(2)11-8(5-10)9-7/h5H,3-4H2,1-2H3
InChIKeyDVKGVHQSERHMCD-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.22
Rot. Bonds3

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

5-methyl-4-propyl-1,3-thiazole-2-carbaldehyde (PubChem CID 116867263) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 5-methyl-4-propyl-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-methyl-4-propyl-1,3-thiazole-2-carbaldehyde
PubChem CID116867263
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name5-methyl-4-propyl-1,3-thiazole-2-carbaldehyde
SMILESCCCc1nc(C=O)sc1C
InChIInChI=1S/C8H11NOS/c1-3-4-7-6(2)11-8(5-10)9-7/h5H,3-4H2,1-2H3
InChIKeyDVKGVHQSERHMCD-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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propyl-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-methyl-4-propyl-1,3-thiazole-2-carbaldehyde (CID 116867263) is 5-methyl-4-propyl-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-methyl-4-propyl-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-methyl-4-propyl-1,3-thiazole-2-carbaldehyde is CCCc1nc(C=O)sc1C.
What is the InChIKey of 5-methyl-4-propyl-1,3-thiazole-2-carbaldehyde?
The InChIKey is DVKGVHQSERHMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-3-4-7-6(2)11-8(5-10)9-7/h5H,3-4H2,1-2H3.
What are the key properties of 5-methyl-4-propyl-1,3-thiazole-2-carbaldehyde?
5-methyl-4-propyl-1,3-thiazole-2-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 5-methyl-4-propyl-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 116867263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).