2-[4-[[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde

C20H19NO4S — CID 123414265

IUPAC2-[4-[[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde
SMILESCC(C)Oc1ccc(Oc2ncc(Oc3ccc(CC=O)cc3)s2)cc1
InChIInChI=1S/C20H19NO4S/c1-14(2)23-16-7-9-18(10-8-16)25-20-21-13-19(26-20)24-17-5-3-15(4-6-17)11-12-22/h3-10,12-14H,11H2,1-2H3
InChIKeyAYCNQVAGHRZFCA-UHFFFAOYSA-N
MW369.44 g/mol
LogP5.26
Rot. Bonds8

About 2-[4-[[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde

2-[4-[[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde (PubChem CID 123414265) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-[4-[[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[4-[[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde
PubChem CID123414265
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name2-[4-[[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde
SMILESCC(C)Oc1ccc(Oc2ncc(Oc3ccc(CC=O)cc3)s2)cc1
InChIInChI=1S/C20H19NO4S/c1-14(2)23-16-7-9-18(10-8-16)25-20-21-13-19(26-20)24-17-5-3-15(4-6-17)11-12-22/h3-10,12-14H,11H2,1-2H3
InChIKeyAYCNQVAGHRZFCA-UHFFFAOYSA-N
XLogP5.26
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.44
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]acetaldehyde
CID 87564164
5-iodo-2-(4-propan-2-yloxyphenoxy)-1,3-thiazole
CID 67097044
2-[2-[(5-propan-2-yloxy-2-pyridinyl)oxy]quinolin-6-yl]acetaldehyde
CID 87564865
N-[1-[4-[[2-(2-ethyl-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide
CID 57411276
N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide
CID 23648840
2-methyl-3-(4-propan-2-yloxyphenyl)propanal
CID 20575607
N-[2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]ethyl]acetamide
CID 68759948
2-(2-propan-2-yloxypyrimidin-5-yl)acetaldehyde
CID 83875334
2-[6-(4-propan-2-yloxyanilino)naphthalen-2-yl]acetaldehyde
CID 87563578
5-[(E)-3-azidobut-1-enyl]-2-(4-propan-2-yloxyphenoxy)-1,3-thiazole
CID 86621208
2-methyl-N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]propanamide
CID 141350280
2-[(1R)-1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione
CID 69435608

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde?
The IUPAC name of 2-[4-[[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde (CID 123414265) is 2-[4-[[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde.
What is the SMILES notation for 2-[4-[[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde?
The canonical SMILES for 2-[4-[[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde is CC(C)Oc1ccc(Oc2ncc(Oc3ccc(CC=O)cc3)s2)cc1.
What is the InChIKey of 2-[4-[[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde?
The InChIKey is AYCNQVAGHRZFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-14(2)23-16-7-9-18(10-8-16)25-20-21-13-19(26-20)24-17-5-3-15(4-6-17)11-12-22/h3-10,12-14H,11H2,1-2H3.
What are the key properties of 2-[4-[[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde?
2-[4-[[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde has a molecular weight of 369.44 g/mol, XLogP of 5.26, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde is sourced from PubChem (CID 123414265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).