2-(5-chloro-1,3-thiazol-2-yl)acetaldehyde

C5H4ClNOS — CID 87995521

IUPAC2-(5-chloro-1,3-thiazol-2-yl)acetaldehyde
SMILESO=CCc1ncc(Cl)s1
InChIInChI=1S/C5H4ClNOS/c6-4-3-7-5(9-4)1-2-8/h2-3H,1H2
InChIKeyBOLCZMMRKFKTSX-UHFFFAOYSA-N
MW161.61 g/mol
LogP1.54
Rot. Bonds2

About 2-(5-chloro-1,3-thiazol-2-yl)acetaldehyde

2-(5-chloro-1,3-thiazol-2-yl)acetaldehyde (PubChem CID 87995521) has the molecular formula C5H4ClNOS and a molecular weight of 161.61 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)acetaldehyde
PubChem CID87995521
Molecular FormulaC5H4ClNOS
Molecular Weight161.61 g/mol
Exact Mass160.97
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)acetaldehyde
SMILESO=CCc1ncc(Cl)s1
InChIInChI=1S/C5H4ClNOS/c6-4-3-7-5(9-4)1-2-8/h2-3H,1H2
InChIKeyBOLCZMMRKFKTSX-UHFFFAOYSA-N
XLogP1.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.61
LogP ≤ 51.54
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 2-(5-chloro-1,3-thiazol-2-yl)acetaldehyde?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)acetaldehyde (CID 87995521) is 2-(5-chloro-1,3-thiazol-2-yl)acetaldehyde.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)acetaldehyde?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)acetaldehyde is O=CCc1ncc(Cl)s1.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)acetaldehyde?
The InChIKey is BOLCZMMRKFKTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNOS/c6-4-3-7-5(9-4)1-2-8/h2-3H,1H2.
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)acetaldehyde?
2-(5-chloro-1,3-thiazol-2-yl)acetaldehyde has a molecular weight of 161.61 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)acetaldehyde is sourced from PubChem (CID 87995521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).