N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide

C14H16N2O3S — CID 103956653

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccc(O)c(O)c2)n1
InChIInChI=1S/C14H16N2O3S/c1-14(2,3)11-7-20-13(15-11)16-12(19)8-4-5-9(17)10(18)6-8/h4-7,17-18H,1-3H3,(H,15,16,19)
InChIKeyGRYNUEPGXJEWJP-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.10
Rot. Bonds2

About N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide (PubChem CID 103956653) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide
PubChem CID103956653
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccc(O)c(O)c2)n1
InChIInChI=1S/C14H16N2O3S/c1-14(2,3)11-7-20-13(15-11)16-12(19)8-4-5-9(17)10(18)6-8/h4-7,17-18H,1-3H3,(H,15,16,19)
InChIKeyGRYNUEPGXJEWJP-UHFFFAOYSA-N
XLogP3.10
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide
CID 60654609
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide
CID 2800686
N-(4-tert-butyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 2477287
N-(4-tert-butyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 4133466
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
4-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylsulfonylbenzamide
CID 86875148
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide
CID 78948952
5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 60725123
2-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 114326356
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-chloro-3-nitrobenzamide
CID 867878
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide
CID 3372647
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993057

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide (CID 103956653) is N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide is CC(C)(C)c1csc(NC(=O)c2ccc(O)c(O)c2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide?
The InChIKey is GRYNUEPGXJEWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-14(2,3)11-7-20-13(15-11)16-12(19)8-4-5-9(17)10(18)6-8/h4-7,17-18H,1-3H3,(H,15,16,19).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide has a molecular weight of 292.36 g/mol, XLogP of 3.10, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide is sourced from PubChem (CID 103956653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).