4-chloro-1,3-thiazole-5-carbaldehyde

C4H2ClNOS — CID 14501317

IUPAC4-chloro-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1scnc1Cl
InChIInChI=1S/C4H2ClNOS/c5-4-3(1-7)8-2-6-4/h1-2H
InChIKeyGJTWEAFBOIYNLZ-UHFFFAOYSA-N
MW147.59 g/mol
LogP1.61
Rot. Bonds1

About 4-chloro-1,3-thiazole-5-carbaldehyde

4-chloro-1,3-thiazole-5-carbaldehyde (PubChem CID 14501317) has the molecular formula C4H2ClNOS and a molecular weight of 147.59 g/mol. Its IUPAC name is 4-chloro-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-1,3-thiazole-5-carbaldehyde
PubChem CID14501317
Molecular FormulaC4H2ClNOS
Molecular Weight147.59 g/mol
Exact Mass146.95
IUPAC Name4-chloro-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1scnc1Cl
InChIInChI=1S/C4H2ClNOS/c5-4-3(1-7)8-2-6-4/h1-2H
InChIKeyGJTWEAFBOIYNLZ-UHFFFAOYSA-N
XLogP1.61
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.59
LogP ≤ 51.61
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 4-chloro-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-1,3-thiazole-5-carbaldehyde (CID 14501317) is 4-chloro-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-1,3-thiazole-5-carbaldehyde is O=Cc1scnc1Cl.
What is the InChIKey of 4-chloro-1,3-thiazole-5-carbaldehyde?
The InChIKey is GJTWEAFBOIYNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClNOS/c5-4-3(1-7)8-2-6-4/h1-2H.
What are the key properties of 4-chloro-1,3-thiazole-5-carbaldehyde?
4-chloro-1,3-thiazole-5-carbaldehyde has a molecular weight of 147.59 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 14501317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).