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

C18H16N2O2S — CID 60561856

IUPAC2-benzyl-N-(2-hydroxy-5-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2csc(Cc3ccccc3)n2)c1
InChIInChI=1S/C18H16N2O2S/c1-12-7-8-16(21)14(9-12)20-18(22)15-11-23-17(19-15)10-13-5-3-2-4-6-13/h2-9,11,21H,10H2,1H3,(H,20,22)
InChIKeyGUZFFHATQSDBEU-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.00
Rot. Bonds4

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

2-benzyl-N-(2-hydroxy-5-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 60561856) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-benzyl-N-(2-hydroxy-5-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(2-hydroxy-5-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID60561856
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name2-benzyl-N-(2-hydroxy-5-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2csc(Cc3ccccc3)n2)c1
InChIInChI=1S/C18H16N2O2S/c1-12-7-8-16(21)14(9-12)20-18(22)15-11-23-17(19-15)10-13-5-3-2-4-6-13/h2-9,11,21H,10H2,1H3,(H,20,22)
InChIKeyGUZFFHATQSDBEU-UHFFFAOYSA-N
XLogP4.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84554690
2-benzyl-N-(2,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 38764761
2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562
N-(2-hydroxy-5-nitrophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84554707
2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 38766578
2-benzyl-1,3-thiazole-4-carboxylic acid;ethane
CID 91419300
2-benzyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 60610214
2-benzyl-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide
CID 166221899
2-benzyl-N-quinoxalin-6-yl-1,3-thiazole-4-carboxamide
CID 28731409
(2R)-2-[[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 120526918
N-[(2S)-1-aminopropan-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide
CID 120508270
6-[(2-benzyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 119220206

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(2-hydroxy-5-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-(2-hydroxy-5-methylphenyl)-1,3-thiazole-4-carboxamide (CID 60561856) is 2-benzyl-N-(2-hydroxy-5-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-(2-hydroxy-5-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-(2-hydroxy-5-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccc(O)c(NC(=O)c2csc(Cc3ccccc3)n2)c1.
What is the InChIKey of 2-benzyl-N-(2-hydroxy-5-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is GUZFFHATQSDBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12-7-8-16(21)14(9-12)20-18(22)15-11-23-17(19-15)10-13-5-3-2-4-6-13/h2-9,11,21H,10H2,1H3,(H,20,22).
What are the key properties of 2-benzyl-N-(2-hydroxy-5-methylphenyl)-1,3-thiazole-4-carboxamide?
2-benzyl-N-(2-hydroxy-5-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(2-hydroxy-5-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 60561856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).