4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]benzaldehyde

C14H16N2O2S — CID 10446160

IUPAC4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]benzaldehyde
SMILESCc1csc(N(C)CCOc2ccc(C=O)cc2)n1
InChIInChI=1S/C14H16N2O2S/c1-11-10-19-14(15-11)16(2)7-8-18-13-5-3-12(9-17)4-6-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyCTDBOLYDJAPEQN-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.78
Rot. Bonds6

About 4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]benzaldehyde

4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]benzaldehyde (PubChem CID 10446160) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]benzaldehyde.

Molecular Properties

Compound Name4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]benzaldehyde
PubChem CID10446160
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]benzaldehyde
SMILESCc1csc(N(C)CCOc2ccc(C=O)cc2)n1
InChIInChI=1S/C14H16N2O2S/c1-11-10-19-14(15-11)16(2)7-8-18-13-5-3-12(9-17)4-6-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyCTDBOLYDJAPEQN-UHFFFAOYSA-N
XLogP2.78
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-2-(4-propanoylphenoxy)acetamide
CID 2101250
5-[[4-[2-[Methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 10249029
4-((2-Methyl-1,3-thiazol-4-yl)methoxy)benzaldehyde
CID 4962841
4-({2-[4-(4-Methoxybenzoyl)piperazin-1-YL]-1,3-thiazol-4-YL}methyl)morpholine
CID 53158738
4-({2-[4-(4-Ethoxybenzoyl)piperazin-1-yl]-1,3-thiazol-4-yl}methyl)morpholine
CID 53158740
2-(4-Formylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 16495786
2-[[2-[Acetyl(ethyl)amino]-1,3-thiazol-4-yl]methoxy]benzamide
CID 30757803
N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-4-yloxy)benzamide
CID 132379898
2-Amino-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-methylthiazolium bromide
CID 129755344
N-ethyl-N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide
CID 31433095
N-[4-[[4-(4-fluorobenzoyl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide
CID 40086433
N-ethyl-N-[4-[(E)-3-oxo-3-[4-(trifluoromethoxy)phenyl]prop-1-enyl]-1,3-thiazol-2-yl]acetamide
CID 45907171

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]benzaldehyde?
The IUPAC name of 4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]benzaldehyde (CID 10446160) is 4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]benzaldehyde.
What is the SMILES notation for 4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]benzaldehyde?
The canonical SMILES for 4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]benzaldehyde is Cc1csc(N(C)CCOc2ccc(C=O)cc2)n1.
What is the InChIKey of 4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]benzaldehyde?
The InChIKey is CTDBOLYDJAPEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-11-10-19-14(15-11)16(2)7-8-18-13-5-3-12(9-17)4-6-13/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]benzaldehyde?
4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]benzaldehyde has a molecular weight of 276.36 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]ethoxy]benzaldehyde is sourced from PubChem (CID 10446160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).