N-(2-ethyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C13H14N2O2S — CID 99832381

IUPACN-(2-ethyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1cc(O)ccc1NC(=O)c1scnc1C
InChIInChI=1S/C13H14N2O2S/c1-3-9-6-10(16)4-5-11(9)15-13(17)12-8(2)14-7-18-12/h4-7,16H,3H2,1-2H3,(H,15,17)
InChIKeyRGJUWENALXANLK-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.97
Rot. Bonds3

About N-(2-ethyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

N-(2-ethyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 99832381) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(2-ethyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID99832381
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(2-ethyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1cc(O)ccc1NC(=O)c1scnc1C
InChIInChI=1S/C13H14N2O2S/c1-3-9-6-10(16)4-5-11(9)15-13(17)12-8(2)14-7-18-12/h4-7,16H,3H2,1-2H3,(H,15,17)
InChIKeyRGJUWENALXANLK-UHFFFAOYSA-N
XLogP2.97
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 54102334
4-methyl-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 75493724
2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 18071798
N-(2-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 28938704
ethyl 3-bromo-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate
CID 43623847
N-(5-chloro-2-hydroxy-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 56791819
N-(5-amino-2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18071701
N-[3-(ethylaminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 43601238
ethyl 4,5-difluoro-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoate
CID 122142262
N-(5-cyano-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47475999
4-methyl-N-(4-methyl-2-pyridinyl)-1,3-thiazole-5-carboxamide
CID 47265636
N-(2-chloro-4-hydroxyphenyl)-3-ethylthiophene-2-carboxamide
CID 79976367

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-ethyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 99832381) is N-(2-ethyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-ethyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-ethyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is CCc1cc(O)ccc1NC(=O)c1scnc1C.
What is the InChIKey of N-(2-ethyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is RGJUWENALXANLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-3-9-6-10(16)4-5-11(9)15-13(17)12-8(2)14-7-18-12/h4-7,16H,3H2,1-2H3,(H,15,17).
What are the key properties of N-(2-ethyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(2-ethyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 99832381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).