2-(2,3-dimethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide

C22H24N2O3S — CID 19178767

IUPAC2-(2,3-dimethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCOc1ccc(-c2csc(NC(=O)COc3cccc(C)c3C)n2)cc1
InChIInChI=1S/C22H24N2O3S/c1-4-12-26-18-10-8-17(9-11-18)19-14-28-22(23-19)24-21(25)13-27-20-7-5-6-15(2)16(20)3/h5-11,14H,4,12-13H2,1-3H3,(H,23,24,25)
InChIKeyJYYZEMQYMHVNHN-UHFFFAOYSA-N
MW396.51 g/mol
LogP5.23
Rot. Bonds8

About 2-(2,3-dimethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide

2-(2,3-dimethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 19178767) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID19178767
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name2-(2,3-dimethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCCOc1ccc(-c2csc(NC(=O)COc3cccc(C)c3C)n2)cc1
InChIInChI=1S/C22H24N2O3S/c1-4-12-26-18-10-8-17(9-11-18)19-14-28-22(23-19)24-21(25)13-27-20-7-5-6-15(2)16(20)3/h5-11,14H,4,12-13H2,1-3H3,(H,23,24,25)
InChIKeyJYYZEMQYMHVNHN-UHFFFAOYSA-N
XLogP5.23
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.51
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 19173189
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(2-chlorophenoxy)acetamide
CID 19196624
2-(2-methylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918619
2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 3414920
2-(2-bromo-4-phenylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178686
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197421
2-(2-bromo-4-ethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19202853
2-(2,3-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7921782
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide
CID 19194823
N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4-(4-propylphenoxy)butanamide
CID 19191455
4-(4-chlorophenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19184059
2-(2-methyl-3-nitrophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 60518149

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 19178767) is 2-(2,3-dimethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide is CCCOc1ccc(-c2csc(NC(=O)COc3cccc(C)c3C)n2)cc1.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is JYYZEMQYMHVNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-4-12-26-18-10-8-17(9-11-18)19-14-28-22(23-19)24-21(25)13-27-20-7-5-6-15(2)16(20)3/h5-11,14H,4,12-13H2,1-3H3,(H,23,24,25).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-(2,3-dimethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 396.51 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19178767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).