N-[(2,4-dimethylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide

C19H18N2OS — CID 55718847

IUPACN-[(2,4-dimethylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc(-c3ccccc3)s2)c(C)c1
InChIInChI=1S/C19H18N2OS/c1-13-8-9-16(14(2)10-13)11-20-18(22)17-12-21-19(23-17)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyBXZVLKCFFYDNCE-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.36
Rot. Bonds4

About N-[(2,4-dimethylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide

N-[(2,4-dimethylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 55718847) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID55718847
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc(-c3ccccc3)s2)c(C)c1
InChIInChI=1S/C19H18N2OS/c1-13-8-9-16(14(2)10-13)11-20-18(22)17-12-21-19(23-17)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyBXZVLKCFFYDNCE-UHFFFAOYSA-N
XLogP4.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 110908880
N-(2,5-dimethylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 46484824
N-[2-(ethylamino)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119509156
N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347
N-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119499312
N-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119643597
2-(2,4-dimethylphenyl)-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
CID 49015979
6-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 119219821
N-[(4-carbamimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 24856375
4-benzamido-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 46587607
2-(3-acetylphenyl)-N-(1H-benzimidazol-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 117088116
2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 58236218

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 55718847) is N-[(2,4-dimethylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide is Cc1ccc(CNC(=O)c2cnc(-c3ccccc3)s2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is BXZVLKCFFYDNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-13-8-9-16(14(2)10-13)11-20-18(22)17-12-21-19(23-17)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,20,22).
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
N-[(2,4-dimethylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55718847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).