N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide

C21H22N2O3S — CID 55895475

IUPACN-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
SMILESCCOc1ccccc1-c1csc(NC(=O)C(C)Oc2ccc(C)cc2)n1
InChIInChI=1S/C21H22N2O3S/c1-4-25-19-8-6-5-7-17(19)18-13-27-21(22-18)23-20(24)15(3)26-16-11-9-14(2)10-12-16/h5-13,15H,4H2,1-3H3,(H,22,23,24)
InChIKeyXVWSTRAHRIHVAM-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.92
Rot. Bonds7

About N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide

N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide (PubChem CID 55895475) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
PubChem CID55895475
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
SMILESCCOc1ccccc1-c1csc(NC(=O)C(C)Oc2ccc(C)cc2)n1
InChIInChI=1S/C21H22N2O3S/c1-4-25-19-8-6-5-7-17(19)18-13-27-21(22-18)23-20(24)15(3)26-16-11-9-14(2)10-12-16/h5-13,15H,4H2,1-3H3,(H,22,23,24)
InChIKeyXVWSTRAHRIHVAM-UHFFFAOYSA-N
XLogP4.92
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 19173213
2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194831
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 42994672
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 26893877
(2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 7920239
2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194825
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-propylphenoxy)acetamide
CID 19196497
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 19196964
2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19197557
N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 17404838
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19196538

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide (CID 55895475) is N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide is CCOc1ccccc1-c1csc(NC(=O)C(C)Oc2ccc(C)cc2)n1.
What is the InChIKey of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide?
The InChIKey is XVWSTRAHRIHVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-4-25-19-8-6-5-7-17(19)18-13-27-21(22-18)23-20(24)15(3)26-16-11-9-14(2)10-12-16/h5-13,15H,4H2,1-3H3,(H,22,23,24).
What are the key properties of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide?
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide has a molecular weight of 382.49 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 55895475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).