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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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).