2,5-dihydroxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide

C13H14N2O3S — CID 106037293

IUPAC2,5-dihydroxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1nc(CCNC(=O)c2cc(O)ccc2O)cs1
InChIInChI=1S/C13H14N2O3S/c1-8-15-9(7-19-8)4-5-14-13(18)11-6-10(16)2-3-12(11)17/h2-3,6-7,16-17H,4-5H2,1H3,(H,14,18)
InChIKeyHHKHCEAATGDJAQ-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.84
Rot. Bonds4

About 2,5-dihydroxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide

2,5-dihydroxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 106037293) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2,5-dihydroxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID106037293
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2,5-dihydroxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1nc(CCNC(=O)c2cc(O)ccc2O)cs1
InChIInChI=1S/C13H14N2O3S/c1-8-15-9(7-19-8)4-5-14-13(18)11-6-10(16)2-3-12(11)17/h2-3,6-7,16-17H,4-5H2,1H3,(H,14,18)
InChIKeyHHKHCEAATGDJAQ-UHFFFAOYSA-N
XLogP1.84
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 103773108
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
4-chloro-2-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 47451724
4-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide
CID 114139724
3-amino-2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 106032973
3-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
CID 106040240
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 30600917
2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrobenzamide
CID 38163378
2-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-nitrobenzamide
CID 103809575
3-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitrobenzamide
CID 106050016
6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 103790264
N-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 38162912

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 2,5-dihydroxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide (CID 106037293) is 2,5-dihydroxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2,5-dihydroxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide is Cc1nc(CCNC(=O)c2cc(O)ccc2O)cs1.
What is the InChIKey of 2,5-dihydroxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is HHKHCEAATGDJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-8-15-9(7-19-8)4-5-14-13(18)11-6-10(16)2-3-12(11)17/h2-3,6-7,16-17H,4-5H2,1H3,(H,14,18).
What are the key properties of 2,5-dihydroxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
2,5-dihydroxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 278.33 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 106037293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).