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

C14H15BrN2O3S — CID 80574636

IUPACethyl 2-[2-(2-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Nc2cc(OC)ccc2Br)n1
InChIInChI=1S/C14H15BrN2O3S/c1-3-20-13(18)6-9-8-21-14(16-9)17-12-7-10(19-2)4-5-11(12)15/h4-5,7-8H,3,6H2,1-2H3,(H,16,17)
InChIKeyGCOWLKBIPPCMSL-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.76
Rot. Bonds6

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

ethyl 2-[2-(2-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate (PubChem CID 80574636) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is ethyl 2-[2-(2-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate
PubChem CID80574636
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Nameethyl 2-[2-(2-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(Nc2cc(OC)ccc2Br)n1
InChIInChI=1S/C14H15BrN2O3S/c1-3-20-13(18)6-9-8-21-14(16-9)17-12-7-10(19-2)4-5-11(12)15/h4-5,7-8H,3,6H2,1-2H3,(H,16,17)
InChIKeyGCOWLKBIPPCMSL-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-methoxyanilino)-1,3-thiazol-4-yl]acetate
CID 82859828
methyl 2-(2-bromo-5-methoxyanilino)-1,3-thiazole-4-carboxylate
CID 113307186
ethyl 2-[2-[3-(2,5-dimethoxyphenyl)prop-2-enoylamino]-1,3-thiazol-4-yl]acetate
CID 1083515
ethyl 2-[2-(3-bromo-5-methylanilino)-1,3-thiazol-4-yl]acetate
CID 107580572
ethyl 2-[2-(4-bromo-2,6-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 80573862
ethyl 2-[2-(2,5-difluoro-4-methylanilino)-1,3-thiazol-4-yl]acetate
CID 103587768
ethyl 2-[2-(2,3-difluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80574749
ethyl 2-[2-[2-(dimethylamino)anilino]-1,3-thiazol-4-yl]acetate
CID 106760974
ethyl 2-[2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl]acetate
CID 43968648
ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]acetate
CID 75176428
ethyl 2-[2-(3-fluoro-5-methylanilino)-1,3-thiazol-4-yl]acetate
CID 80576631
ethyl 2-[2-(4-carbamoylanilino)-1,3-thiazol-4-yl]acetate
CID 80574072

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(2-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate (CID 80574636) is ethyl 2-[2-(2-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(2-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(2-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(Nc2cc(OC)ccc2Br)n1.
What is the InChIKey of ethyl 2-[2-(2-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate?
The InChIKey is GCOWLKBIPPCMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-3-20-13(18)6-9-8-21-14(16-9)17-12-7-10(19-2)4-5-11(12)15/h4-5,7-8H,3,6H2,1-2H3,(H,16,17).
What are the key properties of ethyl 2-[2-(2-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(2-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-(2-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).