ethyl 2-[3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]phenoxy]acetate

C18H15ClN2O4S2 — CID 60584119

IUPACethyl 2-[3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)c2csc(-c3ccc(Cl)s3)n2)c1
InChIInChI=1S/C18H15ClN2O4S2/c1-2-24-16(22)9-25-12-5-3-4-11(8-12)20-17(23)13-10-26-18(21-13)14-6-7-15(19)27-14/h3-8,10H,2,9H2,1H3,(H,20,23)
InChIKeyPIJZCOLDUOZZKV-UHFFFAOYSA-N
MW422.92 g/mol
LogP4.72
Rot. Bonds7

About ethyl 2-[3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]phenoxy]acetate

ethyl 2-[3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]phenoxy]acetate (PubChem CID 60584119) has the molecular formula C18H15ClN2O4S2 and a molecular weight of 422.92 g/mol. Its IUPAC name is ethyl 2-[3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]phenoxy]acetate
PubChem CID60584119
Molecular FormulaC18H15ClN2O4S2
Molecular Weight422.92 g/mol
Exact Mass422.02
IUPAC Nameethyl 2-[3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)c2csc(-c3ccc(Cl)s3)n2)c1
InChIInChI=1S/C18H15ClN2O4S2/c1-2-24-16(22)9-25-12-5-3-4-11(8-12)20-17(23)13-10-26-18(21-13)14-6-7-15(19)27-14/h3-8,10H,2,9H2,1H3,(H,20,23)
InChIKeyPIJZCOLDUOZZKV-UHFFFAOYSA-N
XLogP4.72
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]phenoxy]acetate with MolForge

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Related Compounds

ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 78974871
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 33266017
ethyl 2-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate
CID 39269573
2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66378221
2-(3-ethoxyphenyl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 46066487
ethyl 2-[3-(tert-butylcarbamoylamino)phenoxy]acetate
CID 60970804
2-(1-aminoethyl)-N-(3-propoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66390218
ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
CID 39269783
2-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 60583658
N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46547565
ethyl 2-[3-[[4-(thiophene-2-carbonylamino)benzoyl]amino]phenoxy]acetate
CID 39268528
ethyl 2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetate
CID 78917130

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]phenoxy]acetate (CID 60584119) is ethyl 2-[3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]phenoxy]acetate is CCOC(=O)COc1cccc(NC(=O)c2csc(-c3ccc(Cl)s3)n2)c1.
What is the InChIKey of ethyl 2-[3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]phenoxy]acetate?
The InChIKey is PIJZCOLDUOZZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4S2/c1-2-24-16(22)9-25-12-5-3-4-11(8-12)20-17(23)13-10-26-18(21-13)14-6-7-15(19)27-14/h3-8,10H,2,9H2,1H3,(H,20,23).
What are the key properties of ethyl 2-[3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]phenoxy]acetate?
ethyl 2-[3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]phenoxy]acetate has a molecular weight of 422.92 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]phenoxy]acetate is sourced from PubChem (CID 60584119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).