4-ethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide

C21H22N2O2S — CID 7287491

IUPAC4-ethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCc2csc(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C21H22N2O2S/c1-3-25-19-9-7-16(8-10-19)20(24)22-12-11-18-14-26-21(23-18)17-6-4-5-15(2)13-17/h4-10,13-14H,3,11-12H2,1-2H3,(H,22,24)
InChIKeySBGVIEQXDFJXAI-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.49
Rot. Bonds7

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

4-ethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide (PubChem CID 7287491) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
PubChem CID7287491
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name4-ethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCc2csc(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C21H22N2O2S/c1-3-25-19-9-7-16(8-10-19)20(24)22-12-11-18-14-26-21(23-18)17-6-4-5-15(2)13-17/h4-10,13-14H,3,11-12H2,1-2H3,(H,22,24)
InChIKeySBGVIEQXDFJXAI-UHFFFAOYSA-N
XLogP4.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 892238
N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2567479
N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
CID 6464408
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 7119107
4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 852133
3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 123759102
N-(4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 891670
N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472618
N-(3-Diethylamino-propyl)-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-3-methyl-benzamide
CID 3170752
2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3428654
N-(2-(2-(4-methoxyphenyl)thiazol-4-yl)ethyl)thiophene-2-carboxamide
CID 7119205
N-(2-(2-(3,4-dimethoxyphenyl)thiazol-4-yl)ethyl)thiophene-2-carboxamide
CID 7119220

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide (CID 7287491) is 4-ethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide is CCOc1ccc(C(=O)NCCc2csc(-c3cccc(C)c3)n2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The InChIKey is SBGVIEQXDFJXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-3-25-19-9-7-16(8-10-19)20(24)22-12-11-18-14-26-21(23-18)17-6-4-5-15(2)13-17/h4-10,13-14H,3,11-12H2,1-2H3,(H,22,24).
What are the key properties of 4-ethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide?
4-ethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide has a molecular weight of 366.49 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 7287491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).