[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)propanoate

C20H18ClNO4S — CID 55323727

IUPAC[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)propanoate
SMILESCOc1ccccc1-c1nc(COC(=O)C(C)Oc2cccc(Cl)c2)cs1
InChIInChI=1S/C20H18ClNO4S/c1-13(26-16-7-5-6-14(21)10-16)20(23)25-11-15-12-27-19(22-15)17-8-3-4-9-18(17)24-2/h3-10,12-13H,11H2,1-2H3
InChIKeyNDPMSFDJAVNXGN-UHFFFAOYSA-N
MW403.89 g/mol
LogP4.98
Rot. Bonds7

About [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)propanoate

[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)propanoate (PubChem CID 55323727) has the molecular formula C20H18ClNO4S and a molecular weight of 403.89 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)propanoate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)propanoate
PubChem CID55323727
Molecular FormulaC20H18ClNO4S
Molecular Weight403.89 g/mol
Exact Mass403.06
IUPAC Name[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)propanoate
SMILESCOc1ccccc1-c1nc(COC(=O)C(C)Oc2cccc(Cl)c2)cs1
InChIInChI=1S/C20H18ClNO4S/c1-13(26-16-7-5-6-14(21)10-16)20(23)25-11-15-12-27-19(22-15)17-8-3-4-9-18(17)24-2/h3-10,12-13H,11H2,1-2H3
InChIKeyNDPMSFDJAVNXGN-UHFFFAOYSA-N
XLogP4.98
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methoxybenzoate
CID 16522229
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3,5-dimethoxybenzoate
CID 16523605
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)propanoate
CID 46545324
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-chloropyridine-4-carboxylate
CID 38230614
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3,4,5-trimethoxybenzoate
CID 16522456
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate
CID 16523884
[2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)propanoate
CID 46793716
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2-chlorobenzoyl)amino]propanoate
CID 55306942
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-bromobenzoate
CID 16539995
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-chlorobenzoate
CID 7775955
N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide
CID 110317372
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-bromo-4-fluorobenzoate
CID 27751529

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)propanoate?
The IUPAC name of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)propanoate (CID 55323727) is [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)propanoate.
What is the SMILES notation for [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)propanoate?
The canonical SMILES for [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)propanoate is COc1ccccc1-c1nc(COC(=O)C(C)Oc2cccc(Cl)c2)cs1.
What is the InChIKey of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)propanoate?
The InChIKey is NDPMSFDJAVNXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4S/c1-13(26-16-7-5-6-14(21)10-16)20(23)25-11-15-12-27-19(22-15)17-8-3-4-9-18(17)24-2/h3-10,12-13H,11H2,1-2H3.
What are the key properties of [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)propanoate?
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)propanoate has a molecular weight of 403.89 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)propanoate is sourced from PubChem (CID 55323727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).