[2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-6-methoxyphenyl] acetate

C13H11BrN2O4S — CID 11588782

IUPAC[2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-6-methoxyphenyl] acetate
SMILESCOc1cccc(C(=O)Nc2ncc(Br)s2)c1OC(C)=O
InChIInChI=1S/C13H11BrN2O4S/c1-7(17)20-11-8(4-3-5-9(11)19-2)12(18)16-13-15-6-10(14)21-13/h3-6H,1-2H3,(H,15,16,18)
InChIKeyWHGTVAMUESZWTG-UHFFFAOYSA-N
MW371.21 g/mol
LogP3.09
Rot. Bonds4

About [2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-6-methoxyphenyl] acetate

[2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-6-methoxyphenyl] acetate (PubChem CID 11588782) has the molecular formula C13H11BrN2O4S and a molecular weight of 371.21 g/mol. Its IUPAC name is [2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-6-methoxyphenyl] acetate.

Molecular Properties

Compound Name[2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-6-methoxyphenyl] acetate
PubChem CID11588782
Molecular FormulaC13H11BrN2O4S
Molecular Weight371.21 g/mol
Exact Mass369.96
IUPAC Name[2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-6-methoxyphenyl] acetate
SMILESCOc1cccc(C(=O)Nc2ncc(Br)s2)c1OC(C)=O
InChIInChI=1S/C13H11BrN2O4S/c1-7(17)20-11-8(4-3-5-9(11)19-2)12(18)16-13-15-6-10(14)21-13/h3-6H,1-2H3,(H,15,16,18)
InChIKeyWHGTVAMUESZWTG-UHFFFAOYSA-N
XLogP3.09
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.21
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

Nitazoxanide
CID 41684
N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 8195301
3-ethoxy-N-(2-thiazolyl)benzamide
CID 792393
3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721807
[2-[(5-Chlorothiazol-2-yl)carbamoyl]-6-methyl-phenyl] acetate
CID 11673989
2-(Acetyloxy)-N-(5-chloro-2-thiazolyl)benzamide
CID 53309690
2-ethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 652520
8-ethoxy-2-oxo-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 3235723
2-hydroxy-3-methoxy-N-(5-nitrothiazol-2-yl)benzamide
CID 11601774
Benzamide, 2-(acetyloxy)-N-(5-bromo-2-thiazolyl)-
CID 11609814
[2-[(5-Bromothiazol-2-yl)carbamoyl]-4-methyl-phenyl] acetate
CID 11956389
[2-[[5-(Trifluoromethyl)thiazol-2-yl]carbamoyl]phenyl] acetate
CID 49775775

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-6-methoxyphenyl] acetate?
The IUPAC name of [2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-6-methoxyphenyl] acetate (CID 11588782) is [2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-6-methoxyphenyl] acetate.
What is the SMILES notation for [2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-6-methoxyphenyl] acetate?
The canonical SMILES for [2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-6-methoxyphenyl] acetate is COc1cccc(C(=O)Nc2ncc(Br)s2)c1OC(C)=O.
What is the InChIKey of [2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-6-methoxyphenyl] acetate?
The InChIKey is WHGTVAMUESZWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O4S/c1-7(17)20-11-8(4-3-5-9(11)19-2)12(18)16-13-15-6-10(14)21-13/h3-6H,1-2H3,(H,15,16,18).
What are the key properties of [2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-6-methoxyphenyl] acetate?
[2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-6-methoxyphenyl] acetate has a molecular weight of 371.21 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-6-methoxyphenyl] acetate is sourced from PubChem (CID 11588782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).