4-ethoxy-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide

C22H24N2O2S — CID 7222807

IUPAC4-ethoxy-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCc2sc(-c3ccc(C)cc3)nc2C)cc1
InChIInChI=1S/C22H24N2O2S/c1-4-26-19-11-9-17(10-12-19)21(25)23-14-13-20-16(3)24-22(27-20)18-7-5-15(2)6-8-18/h5-12H,4,13-14H2,1-3H3,(H,23,25)
InChIKeyQQTDNPMWZAMLID-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.80
Rot. Bonds7

About 4-ethoxy-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide

4-ethoxy-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide (PubChem CID 7222807) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
PubChem CID7222807
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name4-ethoxy-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCc2sc(-c3ccc(C)cc3)nc2C)cc1
InChIInChI=1S/C22H24N2O2S/c1-4-26-19-11-9-17(10-12-19)21(25)23-14-13-20-16(3)24-22(27-20)18-7-5-15(2)6-8-18/h5-12H,4,13-14H2,1-3H3,(H,23,25)
InChIKeyQQTDNPMWZAMLID-UHFFFAOYSA-N
XLogP4.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide (CID 7222807) is 4-ethoxy-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide is CCOc1ccc(C(=O)NCCc2sc(-c3ccc(C)cc3)nc2C)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide?
The InChIKey is QQTDNPMWZAMLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-4-26-19-11-9-17(10-12-19)21(25)23-14-13-20-16(3)24-22(27-20)18-7-5-15(2)6-8-18/h5-12H,4,13-14H2,1-3H3,(H,23,25).
What are the key properties of 4-ethoxy-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide?
4-ethoxy-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide has a molecular weight of 380.51 g/mol, XLogP of 4.80, 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-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 7222807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).