5-chloro-4-phenyl-1,3-thiazole-2-carbaldehyde

C10H6ClNOS — CID 83691796

IUPAC5-chloro-4-phenyl-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1nc(-c2ccccc2)c(Cl)s1
InChIInChI=1S/C10H6ClNOS/c11-10-9(12-8(6-13)14-10)7-4-2-1-3-5-7/h1-6H
InChIKeyQZFRUBLCINLLHA-UHFFFAOYSA-N
MW223.68 g/mol
LogP3.28
Rot. Bonds2

About 5-chloro-4-phenyl-1,3-thiazole-2-carbaldehyde

5-chloro-4-phenyl-1,3-thiazole-2-carbaldehyde (PubChem CID 83691796) has the molecular formula C10H6ClNOS and a molecular weight of 223.68 g/mol. Its IUPAC name is 5-chloro-4-phenyl-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-chloro-4-phenyl-1,3-thiazole-2-carbaldehyde
PubChem CID83691796
Molecular FormulaC10H6ClNOS
Molecular Weight223.68 g/mol
Exact Mass222.99
IUPAC Name5-chloro-4-phenyl-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1nc(-c2ccccc2)c(Cl)s1
InChIInChI=1S/C10H6ClNOS/c11-10-9(12-8(6-13)14-10)7-4-2-1-3-5-7/h1-6H
InChIKeyQZFRUBLCINLLHA-UHFFFAOYSA-N
XLogP3.28
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 53.28
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 5-chloro-4-phenyl-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-chloro-4-phenyl-1,3-thiazole-2-carbaldehyde (CID 83691796) is 5-chloro-4-phenyl-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-chloro-4-phenyl-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-chloro-4-phenyl-1,3-thiazole-2-carbaldehyde is O=Cc1nc(-c2ccccc2)c(Cl)s1.
What is the InChIKey of 5-chloro-4-phenyl-1,3-thiazole-2-carbaldehyde?
The InChIKey is QZFRUBLCINLLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNOS/c11-10-9(12-8(6-13)14-10)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 5-chloro-4-phenyl-1,3-thiazole-2-carbaldehyde?
5-chloro-4-phenyl-1,3-thiazole-2-carbaldehyde has a molecular weight of 223.68 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-phenyl-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 83691796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).