2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]acetaldehyde

C18H17NO3S — CID 87564164

IUPAC2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]acetaldehyde
SMILESCC(C)Oc1ncc(Oc2ccc3cc(CC=O)ccc3c2)s1
InChIInChI=1S/C18H17NO3S/c1-12(2)21-18-19-11-17(23-18)22-16-6-5-14-9-13(7-8-20)3-4-15(14)10-16/h3-6,8-12H,7H2,1-2H3
InChIKeyWURJDOIIHCTDLB-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.62
Rot. Bonds6

About 2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]acetaldehyde

2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]acetaldehyde (PubChem CID 87564164) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]acetaldehyde
PubChem CID87564164
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]acetaldehyde
SMILESCC(C)Oc1ncc(Oc2ccc3cc(CC=O)ccc3c2)s1
InChIInChI=1S/C18H17NO3S/c1-12(2)21-18-19-11-17(23-18)22-16-6-5-14-9-13(7-8-20)3-4-15(14)10-16/h3-6,8-12H,7H2,1-2H3
InChIKeyWURJDOIIHCTDLB-UHFFFAOYSA-N
XLogP4.62
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.62
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

2-[4-[[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde
CID 123414265
N-[2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]ethyl]acetamide
CID 68759948
2-[2-[(5-propan-2-yloxy-2-pyridinyl)oxy]quinolin-6-yl]acetaldehyde
CID 87564865
2-[4-[(2-amino-1,3-thiazol-5-yl)oxy]phenyl]acetaldehyde
CID 88921262
2-[6-(4-propan-2-yloxyanilino)naphthalen-2-yl]acetaldehyde
CID 87563578
2-[2-(3-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]acetaldehyde
CID 87564191
2-(2-propan-2-yloxypyrimidin-5-yl)acetaldehyde
CID 83875334
2-[6-(2-chloro-4-pyrimidin-2-yloxyphenoxy)naphthalen-2-yl]acetaldehyde
CID 87565351
N-[1-[4-[[2-(2-ethyl-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide
CID 57411276
2-[2-(4-butan-2-yloxy-2-methylphenoxy)quinolin-6-yl]acetaldehyde
CID 87563922
2-methyl-3-(4-propan-2-yloxyphenyl)propanal
CID 20575607
2-(2-methylquinolin-6-yl)acetaldehyde
CID 81224774

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]acetaldehyde?
The IUPAC name of 2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]acetaldehyde (CID 87564164) is 2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]acetaldehyde.
What is the SMILES notation for 2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]acetaldehyde?
The canonical SMILES for 2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]acetaldehyde is CC(C)Oc1ncc(Oc2ccc3cc(CC=O)ccc3c2)s1.
What is the InChIKey of 2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]acetaldehyde?
The InChIKey is WURJDOIIHCTDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-12(2)21-18-19-11-17(23-18)22-16-6-5-14-9-13(7-8-20)3-4-15(14)10-16/h3-6,8-12H,7H2,1-2H3.
What are the key properties of 2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]acetaldehyde?
2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]acetaldehyde has a molecular weight of 327.41 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]acetaldehyde is sourced from PubChem (CID 87564164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).