ethyl 2-[2-[[2-(4-bromophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate

C15H15BrN2O3S — CID 1346651

IUPACethyl 2-[2-[[2-(4-bromophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Cc2ccc(Br)cc2)n1
InChIInChI=1S/C15H15BrN2O3S/c1-2-21-14(20)8-12-9-22-15(17-12)18-13(19)7-10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,17,18,19)
InChIKeyPPYLZJKKOXFUSS-UHFFFAOYSA-N
MW383.27 g/mol
LogP3.19
Rot. Bonds6

About ethyl 2-[2-[[2-(4-bromophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-(4-bromophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 1346651) has the molecular formula C15H15BrN2O3S and a molecular weight of 383.27 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(4-bromophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(4-bromophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID1346651
Molecular FormulaC15H15BrN2O3S
Molecular Weight383.27 g/mol
Exact Mass382.00
IUPAC Nameethyl 2-[2-[[2-(4-bromophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Cc2ccc(Br)cc2)n1
InChIInChI=1S/C15H15BrN2O3S/c1-2-21-14(20)8-12-9-22-15(17-12)18-13(19)7-10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,17,18,19)
InChIKeyPPYLZJKKOXFUSS-UHFFFAOYSA-N
XLogP3.19
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-Fluoro-benzoylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 732361
2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 798801
Ethyl (2-{[(4-methylphenyl)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 3152628
Ethyl (2-{[(4-methylphenyl)carbonyl]amino}-1,3-thiazol-4-yl)acetate
CID 702014
2-[2-[[Benzamido(sulfanylidene)methyl]amino]-4-thiazolyl]acetic acid ethyl ester
CID 805875
[2-(4-Bromo-benzoylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 985462
[2-(3-Phenyl-acryloylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 1556124
[[2-[[4-(4-bromophenyl)-2-thiazolyl]amino]-2-oxoethyl]thio]methanethioic acid O-ethyl ester
CID 2324950
ethyl 2-[2-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate
CID 2408873
Ethyl 2-[2-(2-phenylacetamido)-1,3-thiazol-4-yl]acetate
CID 702939
[2-(3-Phenyl-propionylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 702951
Ethyl 2-[2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 3826746

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(4-bromophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(4-bromophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 1346651) is ethyl 2-[2-[[2-(4-bromophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(4-bromophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(4-bromophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)Cc2ccc(Br)cc2)n1.
What is the InChIKey of ethyl 2-[2-[[2-(4-bromophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is PPYLZJKKOXFUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3S/c1-2-21-14(20)8-12-9-22-15(17-12)18-13(19)7-10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,17,18,19).
What are the key properties of ethyl 2-[2-[[2-(4-bromophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-(4-bromophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 383.27 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(4-bromophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 1346651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).