4-[(6-methoxynaphthalen-2-yl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde

C20H20N2O3S — CID 88589426

IUPAC4-[(6-methoxynaphthalen-2-yl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde
SMILESCOc1ccc2cc(Cc3nc(N4CCOCC4)sc3C=O)ccc2c1
InChIInChI=1S/C20H20N2O3S/c1-24-17-5-4-15-10-14(2-3-16(15)12-17)11-18-19(13-23)26-20(21-18)22-6-8-25-9-7-22/h2-5,10,12-13H,6-9,11H2,1H3
InChIKeyBUJAWOGNJWMGFD-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.54
Rot. Bonds5

About 4-[(6-methoxynaphthalen-2-yl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde

4-[(6-methoxynaphthalen-2-yl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde (PubChem CID 88589426) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-[(6-methoxynaphthalen-2-yl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-[(6-methoxynaphthalen-2-yl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde
PubChem CID88589426
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name4-[(6-methoxynaphthalen-2-yl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde
SMILESCOc1ccc2cc(Cc3nc(N4CCOCC4)sc3C=O)ccc2c1
InChIInChI=1S/C20H20N2O3S/c1-24-17-5-4-15-10-14(2-3-16(15)12-17)11-18-19(13-23)26-20(21-18)22-6-8-25-9-7-22/h2-5,10,12-13H,6-9,11H2,1H3
InChIKeyBUJAWOGNJWMGFD-UHFFFAOYSA-N
XLogP3.54
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[(6-methoxynaphthalen-2-yl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-[(6-methoxynaphthalen-2-yl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde (CID 88589426) is 4-[(6-methoxynaphthalen-2-yl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-[(6-methoxynaphthalen-2-yl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-[(6-methoxynaphthalen-2-yl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde is COc1ccc2cc(Cc3nc(N4CCOCC4)sc3C=O)ccc2c1.
What is the InChIKey of 4-[(6-methoxynaphthalen-2-yl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde?
The InChIKey is BUJAWOGNJWMGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-24-17-5-4-15-10-14(2-3-16(15)12-17)11-18-19(13-23)26-20(21-18)22-6-8-25-9-7-22/h2-5,10,12-13H,6-9,11H2,1H3.
What are the key properties of 4-[(6-methoxynaphthalen-2-yl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde?
4-[(6-methoxynaphthalen-2-yl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde has a molecular weight of 368.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxynaphthalen-2-yl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 88589426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).