5-formyl-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide

C18H14N2O2S — CID 134282246

IUPAC5-formyl-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide
SMILESCc1c(NC(=O)c2ncc(C=O)s2)cccc1-c1ccccc1
InChIInChI=1S/C18H14N2O2S/c1-12-15(13-6-3-2-4-7-13)8-5-9-16(12)20-17(22)18-19-10-14(11-21)23-18/h2-11H,1H3,(H,20,22)
InChIKeyIRWRALSZILKUMQ-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.18
Rot. Bonds4

About 5-formyl-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide

5-formyl-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide (PubChem CID 134282246) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is 5-formyl-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-formyl-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide
PubChem CID134282246
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC Name5-formyl-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide
SMILESCc1c(NC(=O)c2ncc(C=O)s2)cccc1-c1ccccc1
InChIInChI=1S/C18H14N2O2S/c1-12-15(13-6-3-2-4-7-13)8-5-9-16(12)20-17(22)18-19-10-14(11-21)23-18/h2-11H,1H3,(H,20,22)
InChIKeyIRWRALSZILKUMQ-UHFFFAOYSA-N
XLogP4.18
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-formyl-N-[3-[3-[(5-formyl-1-methylpyrazole-3-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]-1,3-thiazole-2-carboxamide
CID 134282248
N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)-1,3-thiazole-2-carboxamide
CID 175846923
N-(2-methyl-3-phenylphenyl)benzamide
CID 70826263
methyl 6-[(2-methyl-3-phenylphenyl)carbamoyl]pyridazine-3-carboxylate
CID 129240369
1-(5-ethenyl-1,3-thiazol-2-yl)-2-(2-methyl-3-phenylphenyl)ethanone
CID 159450343
1-methyl-N-(2-methyl-3-phenylphenyl)-5-(piperidin-1-ylmethyl)imidazole-2-carboxamide
CID 175846872
3-(dimethylamino)-5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide
CID 129240355
4-(cyclopropylmethoxy)-5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide
CID 129240421
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-(2-methyl-3-phenylphenyl)-1,3-oxazole-2-carboxamide
CID 140846831
N-hydroxy-2-methyl-3-phenylbenzamide
CID 54333518
N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121025035
N-(3-acetamido-2-methylphenyl)-3-phenylthiophene-2-carboxamide
CID 134019108

Frequently Asked Questions

What is the IUPAC name of 5-formyl-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-formyl-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide (CID 134282246) is 5-formyl-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-formyl-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-formyl-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide is Cc1c(NC(=O)c2ncc(C=O)s2)cccc1-c1ccccc1.
What is the InChIKey of 5-formyl-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide?
The InChIKey is IRWRALSZILKUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S/c1-12-15(13-6-3-2-4-7-13)8-5-9-16(12)20-17(22)18-19-10-14(11-21)23-18/h2-11H,1H3,(H,20,22).
What are the key properties of 5-formyl-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide?
5-formyl-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 134282246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).