2-[benzyl(methyl)amino]-1,3-thiazole-5-carbaldehyde

C12H12N2OS — CID 3282515

IUPAC2-[benzyl(methyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCN(Cc1ccccc1)c1ncc(C=O)s1
InChIInChI=1S/C12H12N2OS/c1-14(8-10-5-3-2-4-6-10)12-13-7-11(9-15)16-12/h2-7,9H,8H2,1H3
InChIKeyCUEILTBYBXMGNC-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.59
Rot. Bonds4

About 2-[benzyl(methyl)amino]-1,3-thiazole-5-carbaldehyde

2-[benzyl(methyl)amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 3282515) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-1,3-thiazole-5-carbaldehyde
PubChem CID3282515
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name2-[benzyl(methyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCN(Cc1ccccc1)c1ncc(C=O)s1
InChIInChI=1S/C12H12N2OS/c1-14(8-10-5-3-2-4-6-10)12-13-7-11(9-15)16-12/h2-7,9H,8H2,1H3
InChIKeyCUEILTBYBXMGNC-UHFFFAOYSA-N
XLogP2.59
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.59
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-[benzyl(methyl)amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[benzyl(methyl)amino]-1,3-thiazole-5-carbaldehyde (CID 3282515) is 2-[benzyl(methyl)amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[benzyl(methyl)amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[benzyl(methyl)amino]-1,3-thiazole-5-carbaldehyde is CN(Cc1ccccc1)c1ncc(C=O)s1.
What is the InChIKey of 2-[benzyl(methyl)amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is CUEILTBYBXMGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-14(8-10-5-3-2-4-6-10)12-13-7-11(9-15)16-12/h2-7,9H,8H2,1H3.
What are the key properties of 2-[benzyl(methyl)amino]-1,3-thiazole-5-carbaldehyde?
2-[benzyl(methyl)amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 232.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 3282515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).