N-(2-hydroxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide

C11H10N2O3S — CID 71852534

IUPACN-(2-hydroxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(O)c(NC(=O)c2cscn2)c1
InChIInChI=1S/C11H10N2O3S/c1-16-7-2-3-10(14)8(4-7)13-11(15)9-5-17-6-12-9/h2-6,14H,1H3,(H,13,15)
InChIKeyXQJRUPQNMRIFTC-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.11
Rot. Bonds3

About N-(2-hydroxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide

N-(2-hydroxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 71852534) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is N-(2-hydroxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID71852534
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC NameN-(2-hydroxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(O)c(NC(=O)c2cscn2)c1
InChIInChI=1S/C11H10N2O3S/c1-16-7-2-3-10(14)8(4-7)13-11(15)9-5-17-6-12-9/h2-6,14H,1H3,(H,13,15)
InChIKeyXQJRUPQNMRIFTC-UHFFFAOYSA-N
XLogP2.11
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-5-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55143825
N-(5-acetamido-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 62047199
methyl 4-chloro-3-(1,3-thiazole-4-carbonylamino)benzoate
CID 63049738
N-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 63047661
3-bromo-N-(2-hydroxy-5-methoxyphenyl)pyridine-2-carboxamide
CID 100626148
methyl 4-fluoro-2-(1,3-thiazole-4-carbonylamino)benzoate
CID 63047498
N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 62045477
N-[2-ethenyl-5-[2-(1,3-thiazole-4-carbonyl)hydrazinyl]phenyl]-4-methoxybenzamide
CID 140552918
N-(2-chloro-5-methoxyphenyl)-2,5-dihydroxybenzamide
CID 107722765
N-(2-hydroxy-5-methoxyphenyl)-2-methylprop-2-enamide
CID 139950006
N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 62046847
dimethyl 5-(1,3-thiazole-4-carbonylamino)benzene-1,3-dicarboxylate
CID 84554958

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 71852534) is N-(2-hydroxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(O)c(NC(=O)c2cscn2)c1.
What is the InChIKey of N-(2-hydroxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XQJRUPQNMRIFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-16-7-2-3-10(14)8(4-7)13-11(15)9-5-17-6-12-9/h2-6,14H,1H3,(H,13,15).
What are the key properties of N-(2-hydroxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide?
N-(2-hydroxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 250.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71852534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).