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

C20H20N2O2S — CID 4684424

IUPAC4-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1
InChIInChI=1S/C20H20N2O2S/c1-3-24-17-10-8-16(9-11-17)19(23)22-20-21-13-18(25-20)12-15-6-4-14(2)5-7-15/h4-11,13H,3,12H2,1-2H3,(H,21,22,23)
InChIKeySBCJQWZQHYKRAW-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.69
Rot. Bonds6

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

4-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 4684424) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID4684424
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name4-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1
InChIInChI=1S/C20H20N2O2S/c1-3-24-17-10-8-16(9-11-17)19(23)22-20-21-13-18(25-20)12-15-6-4-14(2)5-7-15/h4-11,13H,3,12H2,1-2H3,(H,21,22,23)
InChIKeySBCJQWZQHYKRAW-UHFFFAOYSA-N
XLogP4.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hexoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 5196825
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide
CID 5025499
4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18876296
N-(5-benzyl-1,3-thiazol-2-yl)-4-propoxybenzamide
CID 4270963
N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4-hexoxybenzamide
CID 4591087
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methylphenoxy)benzamide
CID 16651082
2-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18827616
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-6-ethoxypyridine-3-carboxamide
CID 78886727
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-phenylmethoxybenzamide
CID 3974923
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
CID 16651563
4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170489
3-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 55384796

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide (CID 4684424) is 4-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide is CCOc1ccc(C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1.
What is the InChIKey of 4-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is SBCJQWZQHYKRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-3-24-17-10-8-16(9-11-17)19(23)22-20-21-13-18(25-20)12-15-6-4-14(2)5-7-15/h4-11,13H,3,12H2,1-2H3,(H,21,22,23).
What are the key properties of 4-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide?
4-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 352.46 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4684424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).