ethyl 2-[(2-bromo-5-methoxybenzoyl)amino]-1,3-thiazole-4-carboxylate

C14H13BrN2O4S — CID 51146296

IUPACethyl 2-[(2-bromo-5-methoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2cc(OC)ccc2Br)n1
InChIInChI=1S/C14H13BrN2O4S/c1-3-21-13(19)11-7-22-14(16-11)17-12(18)9-6-8(20-2)4-5-10(9)15/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyNQMSSGQJGIXWEQ-UHFFFAOYSA-N
MW385.24 g/mol
LogP3.34
Rot. Bonds5

About ethyl 2-[(2-bromo-5-methoxybenzoyl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[(2-bromo-5-methoxybenzoyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 51146296) has the molecular formula C14H13BrN2O4S and a molecular weight of 385.24 g/mol. Its IUPAC name is ethyl 2-[(2-bromo-5-methoxybenzoyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-bromo-5-methoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID51146296
Molecular FormulaC14H13BrN2O4S
Molecular Weight385.24 g/mol
Exact Mass383.98
IUPAC Nameethyl 2-[(2-bromo-5-methoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2cc(OC)ccc2Br)n1
InChIInChI=1S/C14H13BrN2O4S/c1-3-21-13(19)11-7-22-14(16-11)17-12(18)9-6-8(20-2)4-5-10(9)15/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyNQMSSGQJGIXWEQ-UHFFFAOYSA-N
XLogP3.34
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(2-bromo-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 55333395
2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methoxybenzamide
CID 42995916
ethyl 2-[[4-[4-[(4-ethoxycarbonyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 5218735
ethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 51229930
ethyl 2-(4-bromo-3-methoxyanilino)-1,3-thiazole-4-carboxylate
CID 82861980
ethyl 2-[(4-methoxyphenyl)carbamothioylamino]-1,3-thiazole-4-carboxylate
CID 155815410
ethyl 5-[(2-bromo-5-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 51146239
ethyl 2-bromo-5-methoxybenzoate
CID 43389585
ethyl 2-[(6-methoxypyrimidine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 121167340
ethyl 2-(3-bromo-4-chloroanilino)-1,3-thiazole-4-carboxylate
CID 80569528
2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-methoxybenzamide
CID 103909645
ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 59799123

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-bromo-5-methoxybenzoyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(2-bromo-5-methoxybenzoyl)amino]-1,3-thiazole-4-carboxylate (CID 51146296) is ethyl 2-[(2-bromo-5-methoxybenzoyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(2-bromo-5-methoxybenzoyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(2-bromo-5-methoxybenzoyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2cc(OC)ccc2Br)n1.
What is the InChIKey of ethyl 2-[(2-bromo-5-methoxybenzoyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is NQMSSGQJGIXWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O4S/c1-3-21-13(19)11-7-22-14(16-11)17-12(18)9-6-8(20-2)4-5-10(9)15/h4-7H,3H2,1-2H3,(H,16,17,18).
What are the key properties of ethyl 2-[(2-bromo-5-methoxybenzoyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(2-bromo-5-methoxybenzoyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 385.24 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-bromo-5-methoxybenzoyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 51146296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).