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

C8H10ClNO3S — CID 80687080

IUPAC4-chloro-2-(2-ethoxyethoxy)-1,3-thiazole-5-carbaldehyde
SMILESCCOCCOc1nc(Cl)c(C=O)s1
InChIInChI=1S/C8H10ClNO3S/c1-2-12-3-4-13-8-10-7(9)6(5-11)14-8/h5H,2-4H2,1H3
InChIKeyKDLDXSGMSOQLOQ-UHFFFAOYSA-N
MW235.69 g/mol
LogP2.02
Rot. Bonds6

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

4-chloro-2-(2-ethoxyethoxy)-1,3-thiazole-5-carbaldehyde (PubChem CID 80687080) has the molecular formula C8H10ClNO3S and a molecular weight of 235.69 g/mol. Its IUPAC name is 4-chloro-2-(2-ethoxyethoxy)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-(2-ethoxyethoxy)-1,3-thiazole-5-carbaldehyde
PubChem CID80687080
Molecular FormulaC8H10ClNO3S
Molecular Weight235.69 g/mol
Exact Mass235.01
IUPAC Name4-chloro-2-(2-ethoxyethoxy)-1,3-thiazole-5-carbaldehyde
SMILESCCOCCOc1nc(Cl)c(C=O)s1
InChIInChI=1S/C8H10ClNO3S/c1-2-12-3-4-13-8-10-7(9)6(5-11)14-8/h5H,2-4H2,1H3
InChIKeyKDLDXSGMSOQLOQ-UHFFFAOYSA-N
XLogP2.02
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-ethoxyethoxy)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-(2-ethoxyethoxy)-1,3-thiazole-5-carbaldehyde (CID 80687080) is 4-chloro-2-(2-ethoxyethoxy)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-(2-ethoxyethoxy)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-(2-ethoxyethoxy)-1,3-thiazole-5-carbaldehyde is CCOCCOc1nc(Cl)c(C=O)s1.
What is the InChIKey of 4-chloro-2-(2-ethoxyethoxy)-1,3-thiazole-5-carbaldehyde?
The InChIKey is KDLDXSGMSOQLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3S/c1-2-12-3-4-13-8-10-7(9)6(5-11)14-8/h5H,2-4H2,1H3.
What are the key properties of 4-chloro-2-(2-ethoxyethoxy)-1,3-thiazole-5-carbaldehyde?
4-chloro-2-(2-ethoxyethoxy)-1,3-thiazole-5-carbaldehyde has a molecular weight of 235.69 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-ethoxyethoxy)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 80687080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).