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

C13H14N2O3S — CID 103956894

IUPAC3,4-dihydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1csc(C(C)NC(=O)c2ccc(O)c(O)c2)n1
InChIInChI=1S/C13H14N2O3S/c1-7-6-19-13(14-7)8(2)15-12(18)9-3-4-10(16)11(17)5-9/h3-6,8,16-17H,1-2H3,(H,15,18)
InChIKeyGPSZEIQBQORKAG-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.35
Rot. Bonds3

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

3,4-dihydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 103956894) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 3,4-dihydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID103956894
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name3,4-dihydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1csc(C(C)NC(=O)c2ccc(O)c(O)c2)n1
InChIInChI=1S/C13H14N2O3S/c1-7-6-19-13(14-7)8(2)15-12(18)9-3-4-10(16)11(17)5-9/h3-6,8,16-17H,1-2H3,(H,15,18)
InChIKeyGPSZEIQBQORKAG-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
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

N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-6-carboxamide
CID 63022253
4-fluoro-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702418
2-[1-[(3-chloro-4-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380793
3-(3-hydroxy-3-methylbutyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 95894287
5-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 104607651
4-fluoro-2-iodo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103642131
5-(3-aminoprop-1-ynyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
CID 79684443
2-[1-[(3-chloro-4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66378644
1-ethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide
CID 45179322
2-[1-[(2-methylpyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 106752684
2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569
3,4-dihydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 103955435

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3,4-dihydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 103956894) is 3,4-dihydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dihydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dihydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide is Cc1csc(C(C)NC(=O)c2ccc(O)c(O)c2)n1.
What is the InChIKey of 3,4-dihydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is GPSZEIQBQORKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-7-6-19-13(14-7)8(2)15-12(18)9-3-4-10(16)11(17)5-9/h3-6,8,16-17H,1-2H3,(H,15,18).
What are the key properties of 3,4-dihydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
3,4-dihydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 278.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 103956894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).