2-(4-methoxyphenoxy)ethyl 4-(1,3-thiazol-4-ylmethoxy)benzoate

C20H19NO5S — CID 8005655

IUPAC2-(4-methoxyphenoxy)ethyl 4-(1,3-thiazol-4-ylmethoxy)benzoate
SMILESCOc1ccc(OCCOC(=O)c2ccc(OCc3cscn3)cc2)cc1
InChIInChI=1S/C20H19NO5S/c1-23-17-6-8-18(9-7-17)24-10-11-25-20(22)15-2-4-19(5-3-15)26-12-16-13-27-14-21-16/h2-9,13-14H,10-12H2,1H3
InChIKeyKUGIMKSLYKYQHM-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.97
Rot. Bonds9

About 2-(4-methoxyphenoxy)ethyl 4-(1,3-thiazol-4-ylmethoxy)benzoate

2-(4-methoxyphenoxy)ethyl 4-(1,3-thiazol-4-ylmethoxy)benzoate (PubChem CID 8005655) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)ethyl 4-(1,3-thiazol-4-ylmethoxy)benzoate.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)ethyl 4-(1,3-thiazol-4-ylmethoxy)benzoate
PubChem CID8005655
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Name2-(4-methoxyphenoxy)ethyl 4-(1,3-thiazol-4-ylmethoxy)benzoate
SMILESCOc1ccc(OCCOC(=O)c2ccc(OCc3cscn3)cc2)cc1
InChIInChI=1S/C20H19NO5S/c1-23-17-6-8-18(9-7-17)24-10-11-25-20(22)15-2-4-19(5-3-15)26-12-16-13-27-14-21-16/h2-9,13-14H,10-12H2,1H3
InChIKeyKUGIMKSLYKYQHM-UHFFFAOYSA-N
XLogP3.97
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

benzyl 4-(1,3-thiazol-4-ylmethoxy)benzoate
CID 86907808
2-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate
CID 7654087
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201
8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate
CID 22375919
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 24517179
(4-methoxyphenyl)-[1-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone
CID 25475322
N,N-dipropyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 134022298
N-(4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 134008525
(4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone
CID 37435693
N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 110000901
2-methoxyethyl 4-decoxybenzoate
CID 54021370
4-O-[2-(4-bromophenoxy)ethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55308187

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)ethyl 4-(1,3-thiazol-4-ylmethoxy)benzoate?
The IUPAC name of 2-(4-methoxyphenoxy)ethyl 4-(1,3-thiazol-4-ylmethoxy)benzoate (CID 8005655) is 2-(4-methoxyphenoxy)ethyl 4-(1,3-thiazol-4-ylmethoxy)benzoate.
What is the SMILES notation for 2-(4-methoxyphenoxy)ethyl 4-(1,3-thiazol-4-ylmethoxy)benzoate?
The canonical SMILES for 2-(4-methoxyphenoxy)ethyl 4-(1,3-thiazol-4-ylmethoxy)benzoate is COc1ccc(OCCOC(=O)c2ccc(OCc3cscn3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)ethyl 4-(1,3-thiazol-4-ylmethoxy)benzoate?
The InChIKey is KUGIMKSLYKYQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-23-17-6-8-18(9-7-17)24-10-11-25-20(22)15-2-4-19(5-3-15)26-12-16-13-27-14-21-16/h2-9,13-14H,10-12H2,1H3.
What are the key properties of 2-(4-methoxyphenoxy)ethyl 4-(1,3-thiazol-4-ylmethoxy)benzoate?
2-(4-methoxyphenoxy)ethyl 4-(1,3-thiazol-4-ylmethoxy)benzoate has a molecular weight of 385.44 g/mol, XLogP of 3.97, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)ethyl 4-(1,3-thiazol-4-ylmethoxy)benzoate is sourced from PubChem (CID 8005655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).