ethyl 2-[2-(3-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate

C14H15BrN2O3S — CID 82859828

IUPACethyl 2-[2-(3-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Nc2cc(Br)cc(OC)c2)n1
InChIInChI=1S/C14H15BrN2O3S/c1-3-20-13(18)7-11-8-21-14(17-11)16-10-4-9(15)5-12(6-10)19-2/h4-6,8H,3,7H2,1-2H3,(H,16,17)
InChIKeyAYFBSMXRBPKBEO-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.76
Rot. Bonds6

About ethyl 2-[2-(3-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(3-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate (PubChem CID 82859828) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is ethyl 2-[2-(3-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate
PubChem CID82859828
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Nameethyl 2-[2-(3-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Nc2cc(Br)cc(OC)c2)n1
InChIInChI=1S/C14H15BrN2O3S/c1-3-20-13(18)7-11-8-21-14(17-11)16-10-4-9(15)5-12(6-10)19-2/h4-6,8H,3,7H2,1-2H3,(H,16,17)
InChIKeyAYFBSMXRBPKBEO-UHFFFAOYSA-N
XLogP3.76
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-(3-bromo-5-methylanilino)-1,3-thiazol-4-yl]acetate
CID 107580572
ethyl 2-[2-(3-fluoro-5-methylanilino)-1,3-thiazol-4-yl]acetate
CID 80576631
ethyl 2-[2-(2-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate
CID 80574636
ethyl 2-[2-(4-bromo-2,6-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 80573862
ethyl 2-[2-(3,4,5-trifluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80574528
ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 75176428
ethyl 2-[2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl]acetate
CID 43968648
ethyl 2-[2-(4-carbamoylanilino)-1,3-thiazol-4-yl]acetate
CID 80574072
ethyl 2-[2-(3-carbamoylanilino)-1,3-thiazol-4-yl]acetate
CID 107810524
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
ethyl 3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]propanoate
CID 103486018
ethyl 2-[2-(1,3-benzothiazol-6-ylamino)-1,3-thiazol-4-yl]acetate
CID 107806769

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(3-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate (CID 82859828) is ethyl 2-[2-(3-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(3-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(3-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(Nc2cc(Br)cc(OC)c2)n1.
What is the InChIKey of ethyl 2-[2-(3-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate?
The InChIKey is AYFBSMXRBPKBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-3-20-13(18)7-11-8-21-14(17-11)16-10-4-9(15)5-12(6-10)19-2/h4-6,8H,3,7H2,1-2H3,(H,16,17).
What are the key properties of ethyl 2-[2-(3-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(3-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate has a molecular weight of 371.26 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 82859828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).