[5-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-phenyl-1,3-thiazol-4-yl] acetate

C24H21NO3S — CID 15166174

IUPAC[5-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-phenyl-1,3-thiazol-4-yl] acetate
SMILESCOc1ccc2cc(C(C)c3sc(-c4ccccc4)nc3OC(C)=O)ccc2c1
InChIInChI=1S/C24H21NO3S/c1-15(18-9-10-20-14-21(27-3)12-11-19(20)13-18)22-23(28-16(2)26)25-24(29-22)17-7-5-4-6-8-17/h4-15H,1-3H3
InChIKeyUYRRHKBTKHKIPK-UHFFFAOYSA-N
MW403.50 g/mol
LogP6.05
Rot. Bonds5

About [5-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-phenyl-1,3-thiazol-4-yl] acetate

[5-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-phenyl-1,3-thiazol-4-yl] acetate (PubChem CID 15166174) has the molecular formula C24H21NO3S and a molecular weight of 403.50 g/mol. Its IUPAC name is [5-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-phenyl-1,3-thiazol-4-yl] acetate.

Molecular Properties

Compound Name[5-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-phenyl-1,3-thiazol-4-yl] acetate
PubChem CID15166174
Molecular FormulaC24H21NO3S
Molecular Weight403.50 g/mol
Exact Mass403.12
IUPAC Name[5-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-phenyl-1,3-thiazol-4-yl] acetate
SMILESCOc1ccc2cc(C(C)c3sc(-c4ccccc4)nc3OC(C)=O)ccc2c1
InChIInChI=1S/C24H21NO3S/c1-15(18-9-10-20-14-21(27-3)12-11-19(20)13-18)22-23(28-16(2)26)25-24(29-22)17-7-5-4-6-8-17/h4-15H,1-3H3
InChIKeyUYRRHKBTKHKIPK-UHFFFAOYSA-N
XLogP6.05
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.50
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 129098564
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
[2-[(Z)-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate
CID 118729075
[3-(6-methoxynaphthalen-2-yl)phenyl] acetate
CID 57307184
[4-[(5-acetyloxy-2-phenyl-1,3-thiazol-4-yl)-phenylmethyl]-2-phenyl-1,3-thiazol-5-yl] acetate
CID 12856386
2-(6-methoxynaphthalen-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 176908756
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;2-methylpyridine
CID 175762136
(5Z)-5-benzylidene-2-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 10873363

Frequently Asked Questions

What is the IUPAC name of [5-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-phenyl-1,3-thiazol-4-yl] acetate?
The IUPAC name of [5-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-phenyl-1,3-thiazol-4-yl] acetate (CID 15166174) is [5-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-phenyl-1,3-thiazol-4-yl] acetate.
What is the SMILES notation for [5-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-phenyl-1,3-thiazol-4-yl] acetate?
The canonical SMILES for [5-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-phenyl-1,3-thiazol-4-yl] acetate is COc1ccc2cc(C(C)c3sc(-c4ccccc4)nc3OC(C)=O)ccc2c1.
What is the InChIKey of [5-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-phenyl-1,3-thiazol-4-yl] acetate?
The InChIKey is UYRRHKBTKHKIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3S/c1-15(18-9-10-20-14-21(27-3)12-11-19(20)13-18)22-23(28-16(2)26)25-24(29-22)17-7-5-4-6-8-17/h4-15H,1-3H3.
What are the key properties of [5-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-phenyl-1,3-thiazol-4-yl] acetate?
[5-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-phenyl-1,3-thiazol-4-yl] acetate has a molecular weight of 403.50 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-phenyl-1,3-thiazol-4-yl] acetate is sourced from PubChem (CID 15166174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).