methyl 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate

C13H11BrN2O4S — CID 78798579

IUPACmethyl 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)c2cc(Br)ccc2O)n1
InChIInChI=1S/C13H11BrN2O4S/c1-20-11(18)5-8-6-21-13(15-8)16-12(19)9-4-7(14)2-3-10(9)17/h2-4,6,17H,5H2,1H3,(H,15,16,19)
InChIKeyOKZVRWONFNMPQM-UHFFFAOYSA-N
MW371.21 g/mol
LogP2.58
Rot. Bonds4

About methyl 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 78798579) has the molecular formula C13H11BrN2O4S and a molecular weight of 371.21 g/mol. Its IUPAC name is methyl 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID78798579
Molecular FormulaC13H11BrN2O4S
Molecular Weight371.21 g/mol
Exact Mass369.96
IUPAC Namemethyl 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)c2cc(Br)ccc2O)n1
InChIInChI=1S/C13H11BrN2O4S/c1-20-11(18)5-8-6-21-13(15-8)16-12(19)9-4-7(14)2-3-10(9)17/h2-4,6,17H,5H2,1H3,(H,15,16,19)
InChIKeyOKZVRWONFNMPQM-UHFFFAOYSA-N
XLogP2.58
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.21
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-[(2,5-dihydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 107725368
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-bromo-2-hydroxybenzamide
CID 26045800
methyl 2-[2-[(2-chloro-5-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 106502724
methyl 2-[2-(5-bromo-2-fluoroanilino)-1,3-thiazol-4-yl]acetate
CID 80574470
methyl 2-[2-[(3-bromothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 47284512
ethyl 2-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 18139388
ethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 43019001
ethyl 2-[2-[(5-benzyl-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 60620637
methyl 2-[2-[(2,5-dichloropyridine-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 104986172
methyl 2-[2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 86978228
methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 35569810
4-bromo-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 43630014

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate (CID 78798579) is methyl 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC(=O)c2cc(Br)ccc2O)n1.
What is the InChIKey of methyl 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is OKZVRWONFNMPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O4S/c1-20-11(18)5-8-6-21-13(15-8)16-12(19)9-4-7(14)2-3-10(9)17/h2-4,6,17H,5H2,1H3,(H,15,16,19).
What are the key properties of methyl 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 371.21 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 78798579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).