2-(furan-2-yl)-N-(2-hydroxy-4-methylphenyl)-5-methyl-1,3-thiazole-4-carboxamide

C16H14N2O3S — CID 134018768

IUPAC2-(furan-2-yl)-N-(2-hydroxy-4-methylphenyl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nc(-c3ccco3)sc2C)c(O)c1
InChIInChI=1S/C16H14N2O3S/c1-9-5-6-11(12(19)8-9)17-15(20)14-10(2)22-16(18-14)13-4-3-7-21-13/h3-8,19H,1-2H3,(H,17,20)
InChIKeyPOMFJYSJJPXMRX-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.98
Rot. Bonds3

About 2-(furan-2-yl)-N-(2-hydroxy-4-methylphenyl)-5-methyl-1,3-thiazole-4-carboxamide

2-(furan-2-yl)-N-(2-hydroxy-4-methylphenyl)-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 134018768) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(2-hydroxy-4-methylphenyl)-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(2-hydroxy-4-methylphenyl)-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID134018768
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name2-(furan-2-yl)-N-(2-hydroxy-4-methylphenyl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nc(-c3ccco3)sc2C)c(O)c1
InChIInChI=1S/C16H14N2O3S/c1-9-5-6-11(12(19)8-9)17-15(20)14-10(2)22-16(18-14)13-4-3-7-21-13/h3-8,19H,1-2H3,(H,17,20)
InChIKeyPOMFJYSJJPXMRX-UHFFFAOYSA-N
XLogP3.98
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(furan-2-yl)-N-(2-hydroxy-4-methylphenyl)-5-methyl-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide
CID 43244788
2-(furan-2-yl)-5-methyl-N-(4-methyl-1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 115630153
2-(furan-2-yl)-5-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 78956621
2-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 83090312
2-(furan-2-yl)-N-(2-methoxyethoxy)-5-methyl-1,3-thiazole-4-carboxamide
CID 79676397
2-(furan-2-yl)-5-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 43055913
2-(furan-2-yl)-5-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 55834234
2-(furan-2-yl)-5-methyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55893940
2-(furan-2-yl)-5-methyl-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 36590436
N-(3-amino-2-methylpropyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 119997754
2-(furan-2-yl)-5-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide
CID 43051598
2-(furan-2-yl)-N-(4-hydroxypentyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 107299887

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(2-hydroxy-4-methylphenyl)-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-(2-hydroxy-4-methylphenyl)-5-methyl-1,3-thiazole-4-carboxamide (CID 134018768) is 2-(furan-2-yl)-N-(2-hydroxy-4-methylphenyl)-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-(2-hydroxy-4-methylphenyl)-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-(2-hydroxy-4-methylphenyl)-5-methyl-1,3-thiazole-4-carboxamide is Cc1ccc(NC(=O)c2nc(-c3ccco3)sc2C)c(O)c1.
What is the InChIKey of 2-(furan-2-yl)-N-(2-hydroxy-4-methylphenyl)-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is POMFJYSJJPXMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-9-5-6-11(12(19)8-9)17-15(20)14-10(2)22-16(18-14)13-4-3-7-21-13/h3-8,19H,1-2H3,(H,17,20).
What are the key properties of 2-(furan-2-yl)-N-(2-hydroxy-4-methylphenyl)-5-methyl-1,3-thiazole-4-carboxamide?
2-(furan-2-yl)-N-(2-hydroxy-4-methylphenyl)-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(2-hydroxy-4-methylphenyl)-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 134018768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).