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

C18H16N2OS — CID 9191739

IUPACN-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCc3ccccc3)cs2)cc1
InChIInChI=1S/C18H16N2OS/c1-13-7-9-15(10-8-13)18-20-16(12-22-18)17(21)19-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,21)
InChIKeyINJMMNBTGICPOK-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.05
Rot. Bonds4

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

N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 9191739) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID9191739
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC NameN-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCc3ccccc3)cs2)cc1
InChIInChI=1S/C18H16N2OS/c1-13-7-9-15(10-8-13)18-20-16(12-22-18)17(21)19-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,21)
InChIKeyINJMMNBTGICPOK-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

2-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 17401006
N-benzyl-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 53037018
N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9488971
methyl 4-[[(2-phenyl-1,3-thiazole-4-carbonyl)amino]methyl]benzoate
CID 55386593
N-[[4-(ethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 46598097
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 110902537
2-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 167991505
2-(1-benzothiophen-3-yl)-N-benzyl-1,3-thiazole-4-carboxamide
CID 117084082
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
N-benzyl-2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46065802
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-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 9191739) is N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)NCc3ccccc3)cs2)cc1.
What is the InChIKey of N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is INJMMNBTGICPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-13-7-9-15(10-8-13)18-20-16(12-22-18)17(21)19-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,21).
What are the key properties of N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
N-benzyl-2-(4-methylphenyl)-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-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 9191739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).