N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide

C13H14N2O3S — CID 114344083

IUPACN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide
SMILESCCc1nc(NC(=O)c2cccc(O)c2O)sc1C
InChIInChI=1S/C13H14N2O3S/c1-3-9-7(2)19-13(14-9)15-12(18)8-5-4-6-10(16)11(8)17/h4-6,16-17H,3H2,1-2H3,(H,14,15,18)
InChIKeyNGSMKDWMJBKAIK-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.68
Rot. Bonds3

About N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide (PubChem CID 114344083) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide
PubChem CID114344083
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide
SMILESCCc1nc(NC(=O)c2cccc(O)c2O)sc1C
InChIInChI=1S/C13H14N2O3S/c1-3-9-7(2)19-13(14-9)15-12(18)8-5-4-6-10(16)11(8)17/h4-6,16-17H,3H2,1-2H3,(H,14,15,18)
InChIKeyNGSMKDWMJBKAIK-UHFFFAOYSA-N
XLogP2.68
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.68
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'}

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Related Compounds

3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzamide
CID 61471793
2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
CID 61472147
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-3-methylbenzamide
CID 103951800
4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-iodobenzamide
CID 47047644
3-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 66484720
4-acetyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 75400993
4-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 78987642
2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 115413037
2,6-dichloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 60786100
2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-iodobenzamide
CID 114027614
5-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide
CID 62244060
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47444190

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide?
The IUPAC name of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide (CID 114344083) is N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide.
What is the SMILES notation for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide?
The canonical SMILES for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide is CCc1nc(NC(=O)c2cccc(O)c2O)sc1C.
What is the InChIKey of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide?
The InChIKey is NGSMKDWMJBKAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-3-9-7(2)19-13(14-9)15-12(18)8-5-4-6-10(16)11(8)17/h4-6,16-17H,3H2,1-2H3,(H,14,15,18).
What are the key properties of N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide?
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide has a molecular weight of 278.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide is sourced from PubChem (CID 114344083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).