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

C13H15N3O2S — CID 75436787

IUPAC2-(ethylamino)-N-(4-hydroxy-3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)Nc2ccc(O)c(C)c2)s1
InChIInChI=1S/C13H15N3O2S/c1-3-14-13-15-7-11(19-13)12(18)16-9-4-5-10(17)8(2)6-9/h4-7,17H,3H2,1-2H3,(H,14,15)(H,16,18)
InChIKeyQLHNEFUDDAZJFH-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.84
Rot. Bonds4

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

2-(ethylamino)-N-(4-hydroxy-3-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 75436787) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(ethylamino)-N-(4-hydroxy-3-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(4-hydroxy-3-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID75436787
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-(ethylamino)-N-(4-hydroxy-3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)Nc2ccc(O)c(C)c2)s1
InChIInChI=1S/C13H15N3O2S/c1-3-14-13-15-7-11(19-13)12(18)16-9-4-5-10(17)8(2)6-9/h4-7,17H,3H2,1-2H3,(H,14,15)(H,16,18)
InChIKeyQLHNEFUDDAZJFH-UHFFFAOYSA-N
XLogP2.84
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide
CID 14989717
N-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857349
2-hydroxy-4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 114030920
2-ethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 89433950
N-(3-acetamido-4-methylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide
CID 48577750
2-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carboxamide
CID 75435847
N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 11186612
2,6-dihydroxy-N-(4-hydroxy-3-methylphenyl)benzamide
CID 103890666
N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857781
2-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)-1,3-thiazole-5-carboxamide
CID 111664801
N-(4-hydroxy-3-methylphenyl)-2,6-dimethylbenzamide
CID 103828162
N-(4-acetamidophenyl)-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide
CID 117085966

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(4-hydroxy-3-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-(4-hydroxy-3-methylphenyl)-1,3-thiazole-5-carboxamide (CID 75436787) is 2-(ethylamino)-N-(4-hydroxy-3-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-(4-hydroxy-3-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-(4-hydroxy-3-methylphenyl)-1,3-thiazole-5-carboxamide is CCNc1ncc(C(=O)Nc2ccc(O)c(C)c2)s1.
What is the InChIKey of 2-(ethylamino)-N-(4-hydroxy-3-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is QLHNEFUDDAZJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-3-14-13-15-7-11(19-13)12(18)16-9-4-5-10(17)8(2)6-9/h4-7,17H,3H2,1-2H3,(H,14,15)(H,16,18).
What are the key properties of 2-(ethylamino)-N-(4-hydroxy-3-methylphenyl)-1,3-thiazole-5-carboxamide?
2-(ethylamino)-N-(4-hydroxy-3-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(4-hydroxy-3-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75436787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).