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

C10H7NOS — CID 2763706

IUPAC2-phenyl-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2ccccc2)s1
InChIInChI=1S/C10H7NOS/c12-7-9-6-11-10(13-9)8-4-2-1-3-5-8/h1-7H
InChIKeyKKALNCQCDXQTCG-UHFFFAOYSA-N
MW189.24 g/mol
LogP2.62
Rot. Bonds2

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

2-phenyl-1,3-thiazole-5-carbaldehyde (PubChem CID 2763706) has the molecular formula C10H7NOS and a molecular weight of 189.24 g/mol. Its IUPAC name is 2-phenyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-phenyl-1,3-thiazole-5-carbaldehyde
PubChem CID2763706
Molecular FormulaC10H7NOS
Molecular Weight189.24 g/mol
Exact Mass189.02
IUPAC Name2-phenyl-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2ccccc2)s1
InChIInChI=1S/C10H7NOS/c12-7-9-6-11-10(13-9)8-4-2-1-3-5-8/h1-7H
InChIKeyKKALNCQCDXQTCG-UHFFFAOYSA-N
XLogP2.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 52.62
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-phenyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-phenyl-1,3-thiazole-5-carbaldehyde (CID 2763706) is 2-phenyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-phenyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-phenyl-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(-c2ccccc2)s1.
What is the InChIKey of 2-phenyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is KKALNCQCDXQTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NOS/c12-7-9-6-11-10(13-9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-phenyl-1,3-thiazole-5-carbaldehyde?
2-phenyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 189.24 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 2763706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).