N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide

C20H20N2OS — CID 3257856

IUPACN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide
SMILESCCc1ccc(-c2csc(NC(=O)c3cc(C)ccc3C)n2)cc1
InChIInChI=1S/C20H20N2OS/c1-4-15-7-9-16(10-8-15)18-12-24-20(21-18)22-19(23)17-11-13(2)5-6-14(17)3/h5-12H,4H2,1-3H3,(H,21,22,23)
InChIKeyJWSSTLVBFJBSFD-UHFFFAOYSA-N
MW336.46 g/mol
LogP5.24
Rot. Bonds4

About N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide (PubChem CID 3257856) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide
PubChem CID3257856
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide
SMILESCCc1ccc(-c2csc(NC(=O)c3cc(C)ccc3C)n2)cc1
InChIInChI=1S/C20H20N2OS/c1-4-15-7-9-16(10-8-15)18-12-24-20(21-18)22-19(23)17-11-13(2)5-6-14(17)3/h5-12H,4H2,1-3H3,(H,21,22,23)
InChIKeyJWSSTLVBFJBSFD-UHFFFAOYSA-N
XLogP5.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.46
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4591779
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide
CID 32622565
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrafluorobenzamide
CID 4637733
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5083822
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 4259251
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-methyl-4-nitrobenzamide
CID 4592752
4-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 3407605
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 7565481
2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667765
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 23768958
5-ethyl-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 19241157

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide?
The IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide (CID 3257856) is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide is CCc1ccc(-c2csc(NC(=O)c3cc(C)ccc3C)n2)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide?
The InChIKey is JWSSTLVBFJBSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-4-15-7-9-16(10-8-15)18-12-24-20(21-18)22-19(23)17-11-13(2)5-6-14(17)3/h5-12H,4H2,1-3H3,(H,21,22,23).
What are the key properties of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide?
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide has a molecular weight of 336.46 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide is sourced from PubChem (CID 3257856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).