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

C6H6ClNO3S — CID 80688277

IUPAC4-chloro-2-(2-hydroxyethoxy)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(OCCO)nc1Cl
InChIInChI=1S/C6H6ClNO3S/c7-5-4(3-10)12-6(8-5)11-2-1-9/h3,9H,1-2H2
InChIKeyVXJQXMSFVRHDDN-UHFFFAOYSA-N
MW207.64 g/mol
LogP0.98
Rot. Bonds4

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

4-chloro-2-(2-hydroxyethoxy)-1,3-thiazole-5-carbaldehyde (PubChem CID 80688277) has the molecular formula C6H6ClNO3S and a molecular weight of 207.64 g/mol. Its IUPAC name is 4-chloro-2-(2-hydroxyethoxy)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-(2-hydroxyethoxy)-1,3-thiazole-5-carbaldehyde
PubChem CID80688277
Molecular FormulaC6H6ClNO3S
Molecular Weight207.64 g/mol
Exact Mass206.98
IUPAC Name4-chloro-2-(2-hydroxyethoxy)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(OCCO)nc1Cl
InChIInChI=1S/C6H6ClNO3S/c7-5-4(3-10)12-6(8-5)11-2-1-9/h3,9H,1-2H2
InChIKeyVXJQXMSFVRHDDN-UHFFFAOYSA-N
XLogP0.98
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.64
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-hydroxyethoxy)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-(2-hydroxyethoxy)-1,3-thiazole-5-carbaldehyde (CID 80688277) is 4-chloro-2-(2-hydroxyethoxy)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-(2-hydroxyethoxy)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-(2-hydroxyethoxy)-1,3-thiazole-5-carbaldehyde is O=Cc1sc(OCCO)nc1Cl.
What is the InChIKey of 4-chloro-2-(2-hydroxyethoxy)-1,3-thiazole-5-carbaldehyde?
The InChIKey is VXJQXMSFVRHDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO3S/c7-5-4(3-10)12-6(8-5)11-2-1-9/h3,9H,1-2H2.
What are the key properties of 4-chloro-2-(2-hydroxyethoxy)-1,3-thiazole-5-carbaldehyde?
4-chloro-2-(2-hydroxyethoxy)-1,3-thiazole-5-carbaldehyde has a molecular weight of 207.64 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-hydroxyethoxy)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 80688277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).