2-(4-cyclopropylphenyl)-1,3-thiazole-5-carbaldehyde

C13H11NOS — CID 79980973

IUPAC2-(4-cyclopropylphenyl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2ccc(C3CC3)cc2)s1
InChIInChI=1S/C13H11NOS/c15-8-12-7-14-13(16-12)11-5-3-10(4-6-11)9-1-2-9/h3-9H,1-2H2
InChIKeyPBNYIMLYWHAAJL-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.50
Rot. Bonds3

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

2-(4-cyclopropylphenyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 79980973) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-1,3-thiazole-5-carbaldehyde
PubChem CID79980973
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name2-(4-cyclopropylphenyl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2ccc(C3CC3)cc2)s1
InChIInChI=1S/C13H11NOS/c15-8-12-7-14-13(16-12)11-5-3-10(4-6-11)9-1-2-9/h3-9H,1-2H2
InChIKeyPBNYIMLYWHAAJL-UHFFFAOYSA-N
XLogP3.50
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.50
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-(4-cyclopropylphenyl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(4-cyclopropylphenyl)-1,3-thiazole-5-carbaldehyde (CID 79980973) is 2-(4-cyclopropylphenyl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(4-cyclopropylphenyl)-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(-c2ccc(C3CC3)cc2)s1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is PBNYIMLYWHAAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c15-8-12-7-14-13(16-12)11-5-3-10(4-6-11)9-1-2-9/h3-9H,1-2H2.
What are the key properties of 2-(4-cyclopropylphenyl)-1,3-thiazole-5-carbaldehyde?
2-(4-cyclopropylphenyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 229.30 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 79980973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).