2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carbaldehyde

C12H12N2OS — CID 14570024

IUPAC2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carbaldehyde
SMILESCN(C)c1nc(-c2ccccc2)c(C=O)s1
InChIInChI=1S/C12H12N2OS/c1-14(2)12-13-11(10(8-15)16-12)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyHGVBOPKWOUTSAI-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.69
Rot. Bonds3

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

2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carbaldehyde (PubChem CID 14570024) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carbaldehyde
PubChem CID14570024
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carbaldehyde
SMILESCN(C)c1nc(-c2ccccc2)c(C=O)s1
InChIInChI=1S/C12H12N2OS/c1-14(2)12-13-11(10(8-15)16-12)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyHGVBOPKWOUTSAI-UHFFFAOYSA-N
XLogP2.69
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(dimethylamino)-4-phenyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carbaldehyde (CID 14570024) is 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carbaldehyde is CN(C)c1nc(-c2ccccc2)c(C=O)s1.
What is the InChIKey of 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is HGVBOPKWOUTSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-14(2)12-13-11(10(8-15)16-12)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carbaldehyde?
2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 232.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-phenyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 14570024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).