[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate

C14H13BrN2O5S — CID 23794953

IUPAC[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCC(=O)Nc1ncc(Br)s1
InChIInChI=1S/C14H13BrN2O5S/c1-20-9-4-2-3-5-10(9)21-8-13(19)22-7-12(18)17-14-16-6-11(15)23-14/h2-6H,7-8H2,1H3,(H,16,17,18)
InChIKeyNULGWZNCHGYMCK-UHFFFAOYSA-N
MW401.24 g/mol
LogP2.47
Rot. Bonds7

About [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate

[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate (PubChem CID 23794953) has the molecular formula C14H13BrN2O5S and a molecular weight of 401.24 g/mol. Its IUPAC name is [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
PubChem CID23794953
Molecular FormulaC14H13BrN2O5S
Molecular Weight401.24 g/mol
Exact Mass399.97
IUPAC Name[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCC(=O)Nc1ncc(Br)s1
InChIInChI=1S/C14H13BrN2O5S/c1-20-9-4-2-3-5-10(9)21-8-13(19)22-7-12(18)17-14-16-6-11(15)23-14/h2-6H,7-8H2,1H3,(H,16,17,18)
InChIKeyNULGWZNCHGYMCK-UHFFFAOYSA-N
XLogP2.47
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate with MolForge

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Related Compounds

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 2608578
[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 23763238
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 1113630
[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 23733738
[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate
CID 23908083
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 82176363
N-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 22170781
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854137
[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 23852012
[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate
CID 23883215
2-(4-bromophenoxy)-N-(5-bromo-1,3-thiazol-2-yl)acetamide
CID 35524705
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 55366842

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The IUPAC name of [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate (CID 23794953) is [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The canonical SMILES for [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate is COc1ccccc1OCC(=O)OCC(=O)Nc1ncc(Br)s1.
What is the InChIKey of [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The InChIKey is NULGWZNCHGYMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O5S/c1-20-9-4-2-3-5-10(9)21-8-13(19)22-7-12(18)17-14-16-6-11(15)23-14/h2-6H,7-8H2,1H3,(H,16,17,18).
What are the key properties of [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
[2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate has a molecular weight of 401.24 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 23794953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).