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

C13H12N2O5S — CID 107725368

IUPACmethyl 2-[2-[(2,5-dihydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)c2cc(O)ccc2O)n1
InChIInChI=1S/C13H12N2O5S/c1-20-11(18)4-7-6-21-13(14-7)15-12(19)9-5-8(16)2-3-10(9)17/h2-3,5-6,16-17H,4H2,1H3,(H,14,15,19)
InChIKeyZBEIJAIRIAYQBV-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.52
Rot. Bonds4

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

methyl 2-[2-[(2,5-dihydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 107725368) has the molecular formula C13H12N2O5S and a molecular weight of 308.31 g/mol. Its IUPAC name is methyl 2-[2-[(2,5-dihydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2,5-dihydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID107725368
Molecular FormulaC13H12N2O5S
Molecular Weight308.31 g/mol
Exact Mass308.05
IUPAC Namemethyl 2-[2-[(2,5-dihydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)c2cc(O)ccc2O)n1
InChIInChI=1S/C13H12N2O5S/c1-20-11(18)4-7-6-21-13(14-7)15-12(19)9-5-8(16)2-3-10(9)17/h2-3,5-6,16-17H,4H2,1H3,(H,14,15,19)
InChIKeyZBEIJAIRIAYQBV-UHFFFAOYSA-N
XLogP1.52
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-[(2-chloro-5-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 106502724
methyl 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 78798579
methyl 2-[2-[[2-(4-hydroxyphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 43623058
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-(trifluoromethyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 86978228
methyl 2-[2-[(2,5-dichloropyridine-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 104986172
methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 35569810
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-bromo-2-hydroxybenzamide
CID 26045800
methyl 2-[2-(quinoline-2-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 38986621
methyl 2-[2-[(3-bromothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 47284512

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2,5-dihydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(2,5-dihydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate (CID 107725368) is methyl 2-[2-[(2,5-dihydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(2,5-dihydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(2,5-dihydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC(=O)c2cc(O)ccc2O)n1.
What is the InChIKey of methyl 2-[2-[(2,5-dihydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ZBEIJAIRIAYQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S/c1-20-11(18)4-7-6-21-13(14-7)15-12(19)9-5-8(16)2-3-10(9)17/h2-3,5-6,16-17H,4H2,1H3,(H,14,15,19).
What are the key properties of methyl 2-[2-[(2,5-dihydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[(2,5-dihydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 308.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2,5-dihydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 107725368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).