2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide

C22H24N2O2S — CID 3310660

IUPAC2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)c1
InChIInChI=1S/C22H24N2O2S/c1-13-6-7-14(2)20(8-13)26-11-21(25)24-22-23-19(12-27-22)18-10-16(4)15(3)9-17(18)5/h6-10,12H,11H2,1-5H3,(H,23,24,25)
InChIKeyPXPPLOZNFPIFHB-UHFFFAOYSA-N
MW380.51 g/mol
LogP5.37
Rot. Bonds5

About 2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide

2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 3310660) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID3310660
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)c1
InChIInChI=1S/C22H24N2O2S/c1-13-6-7-14(2)20(8-13)26-11-21(25)24-22-23-19(12-27-22)18-10-16(4)15(3)9-17(18)5/h6-10,12H,11H2,1-5H3,(H,23,24,25)
InChIKeyPXPPLOZNFPIFHB-UHFFFAOYSA-N
XLogP5.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 2660521
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 19178813
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 1183685
2-(4-methoxyphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7924821
2-(2,3-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7921782
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196570
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide
CID 33301642
2-(2,5-dimethylphenoxy)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 9100839
2-(4-chloro-3-methylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7924827
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 735052
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196976
4-(2,5-dimethylphenoxy)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 19184106

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide (CID 3310660) is 2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(C)c(OCC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is PXPPLOZNFPIFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-13-6-7-14(2)20(8-13)26-11-21(25)24-22-23-19(12-27-22)18-10-16(4)15(3)9-17(18)5/h6-10,12H,11H2,1-5H3,(H,23,24,25).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 380.51 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 3310660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).