4-chloro-2-(2-methylpentoxy)-1,3-thiazole-5-carbaldehyde

C10H14ClNO2S — CID 103284055

IUPAC4-chloro-2-(2-methylpentoxy)-1,3-thiazole-5-carbaldehyde
SMILESCCCC(C)COc1nc(Cl)c(C=O)s1
InChIInChI=1S/C10H14ClNO2S/c1-3-4-7(2)6-14-10-12-9(11)8(5-13)15-10/h5,7H,3-4,6H2,1-2H3
InChIKeyVNHYIZDDXLLWJY-UHFFFAOYSA-N
MW247.75 g/mol
LogP3.42
Rot. Bonds6

About 4-chloro-2-(2-methylpentoxy)-1,3-thiazole-5-carbaldehyde

4-chloro-2-(2-methylpentoxy)-1,3-thiazole-5-carbaldehyde (PubChem CID 103284055) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 4-chloro-2-(2-methylpentoxy)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-(2-methylpentoxy)-1,3-thiazole-5-carbaldehyde
PubChem CID103284055
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name4-chloro-2-(2-methylpentoxy)-1,3-thiazole-5-carbaldehyde
SMILESCCCC(C)COc1nc(Cl)c(C=O)s1
InChIInChI=1S/C10H14ClNO2S/c1-3-4-7(2)6-14-10-12-9(11)8(5-13)15-10/h5,7H,3-4,6H2,1-2H3
InChIKeyVNHYIZDDXLLWJY-UHFFFAOYSA-N
XLogP3.42
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(2-methylpentoxy)-1,3-thiazole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methylpentoxy)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-(2-methylpentoxy)-1,3-thiazole-5-carbaldehyde (CID 103284055) is 4-chloro-2-(2-methylpentoxy)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-(2-methylpentoxy)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-(2-methylpentoxy)-1,3-thiazole-5-carbaldehyde is CCCC(C)COc1nc(Cl)c(C=O)s1.
What is the InChIKey of 4-chloro-2-(2-methylpentoxy)-1,3-thiazole-5-carbaldehyde?
The InChIKey is VNHYIZDDXLLWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-3-4-7(2)6-14-10-12-9(11)8(5-13)15-10/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 4-chloro-2-(2-methylpentoxy)-1,3-thiazole-5-carbaldehyde?
4-chloro-2-(2-methylpentoxy)-1,3-thiazole-5-carbaldehyde has a molecular weight of 247.75 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methylpentoxy)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 103284055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).