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

C19H17BrN2O2S — CID 1183685

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1
InChIInChI=1S/C19H17BrN2O2S/c1-12-3-4-13(2)17(9-12)24-10-18(23)22-19-21-16(11-25-19)14-5-7-15(20)8-6-14/h3-9,11H,10H2,1-2H3,(H,21,22,23)
InChIKeyXIIRUDIXPYTNGT-UHFFFAOYSA-N
MW417.33 g/mol
LogP5.21
Rot. Bonds5

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

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide (PubChem CID 1183685) has the molecular formula C19H17BrN2O2S and a molecular weight of 417.33 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
PubChem CID1183685
Molecular FormulaC19H17BrN2O2S
Molecular Weight417.33 g/mol
Exact Mass416.02
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1
InChIInChI=1S/C19H17BrN2O2S/c1-12-3-4-13(2)17(9-12)24-10-18(23)22-19-21-16(11-25-19)14-5-7-15(20)8-6-14/h3-9,11H,10H2,1-2H3,(H,21,22,23)
InChIKeyXIIRUDIXPYTNGT-UHFFFAOYSA-N
XLogP5.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.33
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 19178813
2-(2,5-dimethylphenoxy)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 9100839
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 3986058
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 23799741
2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3310660
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 23904810
2-(2,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 2660521
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenoxy)acetamide
CID 45035781
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-ethylphenoxy)acetamide
CID 19175684
4-(2,5-dimethylphenoxy)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 19184106
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35964926
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide
CID 33301642

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide (CID 1183685) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide is Cc1ccc(C)c(OCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide?
The InChIKey is XIIRUDIXPYTNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2S/c1-12-3-4-13(2)17(9-12)24-10-18(23)22-19-21-16(11-25-19)14-5-7-15(20)8-6-14/h3-9,11H,10H2,1-2H3,(H,21,22,23).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide has a molecular weight of 417.33 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 1183685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).