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

C13H14N2O2S — CID 82133288

IUPAC2-(dimethylamino)-4-(2-methoxyphenyl)-1,3-thiazole-5-carbaldehyde
SMILESCOc1ccccc1-c1nc(N(C)C)sc1C=O
InChIInChI=1S/C13H14N2O2S/c1-15(2)13-14-12(11(8-16)18-13)9-6-4-5-7-10(9)17-3/h4-8H,1-3H3
InChIKeyMCKMOBXLNTUDCX-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.70
Rot. Bonds4

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

2-(dimethylamino)-4-(2-methoxyphenyl)-1,3-thiazole-5-carbaldehyde (PubChem CID 82133288) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(dimethylamino)-4-(2-methoxyphenyl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(dimethylamino)-4-(2-methoxyphenyl)-1,3-thiazole-5-carbaldehyde
PubChem CID82133288
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-(dimethylamino)-4-(2-methoxyphenyl)-1,3-thiazole-5-carbaldehyde
SMILESCOc1ccccc1-c1nc(N(C)C)sc1C=O
InChIInChI=1S/C13H14N2O2S/c1-15(2)13-14-12(11(8-16)18-13)9-6-4-5-7-10(9)17-3/h4-8H,1-3H3
InChIKeyMCKMOBXLNTUDCX-UHFFFAOYSA-N
XLogP2.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(dimethylamino)-4-(2-methoxyphenyl)-1,3-thiazole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde
CID 82135444
2-[3-(dimethylamino)propyl-methylamino]-4-phenyl-1,3-thiazole-5-carbaldehyde
CID 63725506
2-(2-methoxyphenyl)-3-methylpyridine-4-carbaldehyde
CID 83918138
6-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 15764367
5-(2-methoxyphenyl)-1,2-thiazole-4-carbaldehyde
CID 83822098
3-(2-methoxyphenyl)-5-phenyl-1,2-oxazole-4-carbaldehyde
CID 132514539
5-(2-methoxyphenyl)thiadiazole-4-carbaldehyde
CID 83910426
3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 63773034
3-(2-methoxyphenyl)pyridine-2-carbaldehyde
CID 86594750
6-(2-methoxyphenyl)-2-methylpyrimidine-4-carbaldehyde
CID 83823686
4-(2-methoxyphenyl)-1H-pyrazole-5-carbaldehyde
CID 105422977
(E)-3-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82432592

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-(2-methoxyphenyl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(dimethylamino)-4-(2-methoxyphenyl)-1,3-thiazole-5-carbaldehyde (CID 82133288) is 2-(dimethylamino)-4-(2-methoxyphenyl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(dimethylamino)-4-(2-methoxyphenyl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(dimethylamino)-4-(2-methoxyphenyl)-1,3-thiazole-5-carbaldehyde is COc1ccccc1-c1nc(N(C)C)sc1C=O.
What is the InChIKey of 2-(dimethylamino)-4-(2-methoxyphenyl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is MCKMOBXLNTUDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-15(2)13-14-12(11(8-16)18-13)9-6-4-5-7-10(9)17-3/h4-8H,1-3H3.
What are the key properties of 2-(dimethylamino)-4-(2-methoxyphenyl)-1,3-thiazole-5-carbaldehyde?
2-(dimethylamino)-4-(2-methoxyphenyl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 262.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-(2-methoxyphenyl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 82133288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).