benzyl 4-(1,3-thiazol-4-ylmethoxy)benzoate

C18H15NO3S — CID 86907808

IUPACbenzyl 4-(1,3-thiazol-4-ylmethoxy)benzoate
SMILESO=C(OCc1ccccc1)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C18H15NO3S/c20-18(22-10-14-4-2-1-3-5-14)15-6-8-17(9-7-15)21-11-16-12-23-13-19-16/h1-9,12-13H,10-11H2
InChIKeyUDHXRZNQWPBCFC-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.08
Rot. Bonds6

About benzyl 4-(1,3-thiazol-4-ylmethoxy)benzoate

benzyl 4-(1,3-thiazol-4-ylmethoxy)benzoate (PubChem CID 86907808) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is benzyl 4-(1,3-thiazol-4-ylmethoxy)benzoate.

Molecular Properties

Compound Namebenzyl 4-(1,3-thiazol-4-ylmethoxy)benzoate
PubChem CID86907808
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Namebenzyl 4-(1,3-thiazol-4-ylmethoxy)benzoate
SMILESO=C(OCc1ccccc1)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C18H15NO3S/c20-18(22-10-14-4-2-1-3-5-14)15-6-8-17(9-7-15)21-11-16-12-23-13-19-16/h1-9,12-13H,10-11H2
InChIKeyUDHXRZNQWPBCFC-UHFFFAOYSA-N
XLogP4.08
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)ethyl 4-(1,3-thiazol-4-ylmethoxy)benzoate
CID 8005655
(3-methylphenyl)methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate
CID 55451662
methyl 4-[10-(4-phenylmethoxycarbonylphenoxy)decoxy]benzoate
CID 149220381
benzyl benzoate
CID 2345
[4-[2-[4-(benzoyloxymethyl)phenoxy]ethoxy]phenyl]methyl benzoate
CID 175261342
benzyl 4-(2,2-dimethylpropoxy)benzoate
CID 22645379
benzyl 4-trimethylsilyloxybenzoate
CID 528810
(2-amino-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607609
benzyl 4-[[2,4,4,6,6-pentakis(4-phenylmethoxycarbonylphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]benzoate
CID 132506763
N-benzyl-N-(furan-2-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 34907467
benzyl 4-acetyloxybenzoate
CID 734064
benzyl 4-(trifluoromethoxy)benzoate
CID 138483399

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(1,3-thiazol-4-ylmethoxy)benzoate?
The IUPAC name of benzyl 4-(1,3-thiazol-4-ylmethoxy)benzoate (CID 86907808) is benzyl 4-(1,3-thiazol-4-ylmethoxy)benzoate.
What is the SMILES notation for benzyl 4-(1,3-thiazol-4-ylmethoxy)benzoate?
The canonical SMILES for benzyl 4-(1,3-thiazol-4-ylmethoxy)benzoate is O=C(OCc1ccccc1)c1ccc(OCc2cscn2)cc1.
What is the InChIKey of benzyl 4-(1,3-thiazol-4-ylmethoxy)benzoate?
The InChIKey is UDHXRZNQWPBCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c20-18(22-10-14-4-2-1-3-5-14)15-6-8-17(9-7-15)21-11-16-12-23-13-19-16/h1-9,12-13H,10-11H2.
What are the key properties of benzyl 4-(1,3-thiazol-4-ylmethoxy)benzoate?
benzyl 4-(1,3-thiazol-4-ylmethoxy)benzoate has a molecular weight of 325.39 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(1,3-thiazol-4-ylmethoxy)benzoate is sourced from PubChem (CID 86907808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).