N-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide

C19H17BrN2O2S — CID 16610927

IUPACN-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
SMILESCC(=O)N(c1cccc(C)c1)c1nc(COc2ccccc2Br)cs1
InChIInChI=1S/C19H17BrN2O2S/c1-13-6-5-7-16(10-13)22(14(2)23)19-21-15(12-25-19)11-24-18-9-4-3-8-17(18)20/h3-10,12H,11H2,1-2H3
InChIKeySHFIEZPUXAMYBW-UHFFFAOYSA-N
MW417.33 g/mol
LogP5.48
Rot. Bonds5

About N-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide

N-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide (PubChem CID 16610927) has the molecular formula C19H17BrN2O2S and a molecular weight of 417.33 g/mol. Its IUPAC name is N-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
PubChem CID16610927
Molecular FormulaC19H17BrN2O2S
Molecular Weight417.33 g/mol
Exact Mass416.02
IUPAC NameN-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
SMILESCC(=O)N(c1cccc(C)c1)c1nc(COc2ccccc2Br)cs1
InChIInChI=1S/C19H17BrN2O2S/c1-13-6-5-7-16(10-13)22(14(2)23)19-21-15(12-25-19)11-24-18-9-4-3-8-17(18)20/h3-10,12H,11H2,1-2H3
InChIKeySHFIEZPUXAMYBW-UHFFFAOYSA-N
XLogP5.48
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.33
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-acetyl-4-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 24617107
N-[4-[(4-benzoylphenoxy)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 16611293
N-(3-methylphenyl)-N-[4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide
CID 16611297
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-[(3-methylphenyl)methoxy]benzoate
CID 16514853
[2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 2-fluorobenzoate
CID 7508511
[2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 2,4-difluorobenzoate
CID 7951391
[2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 2-chloro-4-fluorobenzoate
CID 16529408
N-[4-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 16527835
[2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 3-iodobenzoate
CID 16522241
[2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 2-chloropyridine-3-carboxylate
CID 7867411
[2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate
CID 7704963
[2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 3-fluoro-4-methylbenzoate
CID 9386989

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of N-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide (CID 16610927) is N-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide is CC(=O)N(c1cccc(C)c1)c1nc(COc2ccccc2Br)cs1.
What is the InChIKey of N-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is SHFIEZPUXAMYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2S/c1-13-6-5-7-16(10-13)22(14(2)23)19-21-15(12-25-19)11-24-18-9-4-3-8-17(18)20/h3-10,12H,11H2,1-2H3.
What are the key properties of N-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
N-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 417.33 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 16610927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).