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

C21H22N2OS — CID 16568166

IUPAC4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
SMILESCCc1ccc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1
InChIInChI=1S/C21H22N2OS/c1-3-16-4-10-19(11-5-16)21(24)22-13-12-17-6-8-18(9-7-17)20-14-25-15(2)23-20/h4-11,14H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyFIJLJKLKZQLSQW-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.65
Rot. Bonds6

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

4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide (PubChem CID 16568166) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
PubChem CID16568166
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
SMILESCCc1ccc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1
InChIInChI=1S/C21H22N2OS/c1-3-16-4-10-19(11-5-16)21(24)22-13-12-17-6-8-18(9-7-17)20-14-25-15(2)23-20/h4-11,14H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyFIJLJKLKZQLSQW-UHFFFAOYSA-N
XLogP4.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434098
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164
4-cyano-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568157
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 24552868
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568214
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1,3-benzothiazole-6-carboxamide
CID 9292042
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55575275
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 47121427
2-(2-methoxyethoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 108725440
4-(4-ethylphenyl)-2-methyl-1,3-thiazole
CID 19240269
3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
CID 51248570
3-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 119308376

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide?
The IUPAC name of 4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide (CID 16568166) is 4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide?
The canonical SMILES for 4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide is CCc1ccc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide?
The InChIKey is FIJLJKLKZQLSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-3-16-4-10-19(11-5-16)21(24)22-13-12-17-6-8-18(9-7-17)20-14-25-15(2)23-20/h4-11,14H,3,12-13H2,1-2H3,(H,22,24).
What are the key properties of 4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide?
4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide has a molecular weight of 350.49 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 16568166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).