N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide

C18H16N2OS — CID 9488971

IUPACN-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1CNC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C18H16N2OS/c1-13-7-5-6-10-15(13)11-19-17(21)16-12-22-18(20-16)14-8-3-2-4-9-14/h2-10,12H,11H2,1H3,(H,19,21)
InChIKeyJZJHGXDFRXHAIX-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.05
Rot. Bonds4

About N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 9488971) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID9488971
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC NameN-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1CNC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C18H16N2OS/c1-13-7-5-6-10-15(13)11-19-17(21)16-12-22-18(20-16)14-8-3-2-4-9-14/h2-10,12H,11H2,1H3,(H,19,21)
InChIKeyJZJHGXDFRXHAIX-UHFFFAOYSA-N
XLogP4.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110647947
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 110902537
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
N-[(2-methylphenyl)methyl]-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53036751
methyl 4-[[(2-phenyl-1,3-thiazole-4-carbonyl)amino]methyl]benzoate
CID 55386593
2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097211
N-[[4-(ethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 46598097
N-[4-(2-methylphenoxy)but-2-ynyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 90575084
2,2-dimethyl-3-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 119249287
2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 18105647
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24676414

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 9488971) is N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide is Cc1ccccc1CNC(=O)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is JZJHGXDFRXHAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-13-7-5-6-10-15(13)11-19-17(21)16-12-22-18(20-16)14-8-3-2-4-9-14/h2-10,12H,11H2,1H3,(H,19,21).
What are the key properties of N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 9488971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).