N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]benzamide

C26H24N2OS — CID 58442475

IUPACN-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(Cc2cc(C)c(-c3csc(NC(=O)c4ccccc4)n3)c(C)c2)cc1
InChIInChI=1S/C26H24N2OS/c1-17-9-11-20(12-10-17)15-21-13-18(2)24(19(3)14-21)23-16-30-26(27-23)28-25(29)22-7-5-4-6-8-22/h4-14,16H,15H2,1-3H3,(H,27,28,29)
InChIKeyADYMFMZXBVBWGT-UHFFFAOYSA-N
MW412.56 g/mol
LogP6.58
Rot. Bonds5

About N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 58442475) has the molecular formula C26H24N2OS and a molecular weight of 412.56 g/mol. Its IUPAC name is N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]benzamide
PubChem CID58442475
Molecular FormulaC26H24N2OS
Molecular Weight412.56 g/mol
Exact Mass412.16
IUPAC NameN-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(Cc2cc(C)c(-c3csc(NC(=O)c4ccccc4)n3)c(C)c2)cc1
InChIInChI=1S/C26H24N2OS/c1-17-9-11-20(12-10-17)15-21-13-18(2)24(19(3)14-21)23-16-30-26(27-23)28-25(29)22-7-5-4-6-8-22/h4-14,16H,15H2,1-3H3,(H,27,28,29)
InChIKeyADYMFMZXBVBWGT-UHFFFAOYSA-N
XLogP6.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.56
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]benzamide with MolForge

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Related Compounds

N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide;tris(N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]benzamide)
CID 157070449
4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4220609
2-(4-methylphenyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 43951110
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4646220
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 43951129
3-(methylsulfonylmethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 9192718
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16799686
N-[4-(4-hydroxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 86690827
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
CID 41028740
4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen
CID 144822338
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]benzamide (CID 58442475) is N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]benzamide is Cc1ccc(Cc2cc(C)c(-c3csc(NC(=O)c4ccccc4)n3)c(C)c2)cc1.
What is the InChIKey of N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is ADYMFMZXBVBWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2OS/c1-17-9-11-20(12-10-17)15-21-13-18(2)24(19(3)14-21)23-16-30-26(27-23)28-25(29)22-7-5-4-6-8-22/h4-14,16H,15H2,1-3H3,(H,27,28,29).
What are the key properties of N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 412.56 g/mol, XLogP of 6.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,6-dimethyl-4-[(4-methylphenyl)methyl]phenyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 58442475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).