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

C26H24N2OS — CID 108738384

IUPAC3,4-dimethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
SMILESCc1ccc(-c2csc(-c3ccc(CNC(=O)c4ccc(C)c(C)c4)cc3)n2)cc1
InChIInChI=1S/C26H24N2OS/c1-17-4-9-21(10-5-17)24-16-30-26(28-24)22-12-7-20(8-13-22)15-27-25(29)23-11-6-18(2)19(3)14-23/h4-14,16H,15H2,1-3H3,(H,27,29)
InChIKeyMXMFCVOHSVLWMW-UHFFFAOYSA-N
MW412.56 g/mol
LogP6.33
Rot. Bonds5

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

3,4-dimethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide (PubChem CID 108738384) has the molecular formula C26H24N2OS and a molecular weight of 412.56 g/mol. Its IUPAC name is 3,4-dimethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
PubChem CID108738384
Molecular FormulaC26H24N2OS
Molecular Weight412.56 g/mol
Exact Mass412.16
IUPAC Name3,4-dimethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
SMILESCc1ccc(-c2csc(-c3ccc(CNC(=O)c4ccc(C)c(C)c4)cc3)n2)cc1
InChIInChI=1S/C26H24N2OS/c1-17-4-9-21(10-5-17)24-16-30-26(28-24)22-12-7-20(8-13-22)15-27-25(29)23-11-6-18(2)19(3)14-23/h4-14,16H,15H2,1-3H3,(H,27,29)
InChIKeyMXMFCVOHSVLWMW-UHFFFAOYSA-N
XLogP6.33
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 ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761184
4-(dimethylamino)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-nitrobenzamide
CID 108738372
N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-methyl-4-nitrobenzamide
CID 108725343
3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287435
ethyl [4-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methylcarbamoyl]phenyl] carbonate
CID 108761174
3-fluoro-4-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide
CID 25397907
2-bromo-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761194
2-methoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide
CID 108738461
2,3,4-trifluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108738396
N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide
CID 108739638
1,1-diethyl-3-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]urea
CID 108738416
4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774049

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide (CID 108738384) is 3,4-dimethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide is Cc1ccc(-c2csc(-c3ccc(CNC(=O)c4ccc(C)c(C)c4)cc3)n2)cc1.
What is the InChIKey of 3,4-dimethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide?
The InChIKey is MXMFCVOHSVLWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2OS/c1-17-4-9-21(10-5-17)24-16-30-26(28-24)22-12-7-20(8-13-22)15-27-25(29)23-11-6-18(2)19(3)14-23/h4-14,16H,15H2,1-3H3,(H,27,29).
What are the key properties of 3,4-dimethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide?
3,4-dimethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide has a molecular weight of 412.56 g/mol, XLogP of 6.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 108738384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).