N-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide

C18H15BrN2O2S — CID 9123007

IUPACN-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
SMILESCc1csc(-c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)n1
InChIInChI=1S/C18H15BrN2O2S/c1-12-11-24-18(20-12)13-2-8-16(9-3-13)23-10-17(22)21-15-6-4-14(19)5-7-15/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyAZXBXGUOPJMPSZ-UHFFFAOYSA-N
MW403.30 g/mol
LogP4.90
Rot. Bonds5

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

N-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide (PubChem CID 9123007) has the molecular formula C18H15BrN2O2S and a molecular weight of 403.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
PubChem CID9123007
Molecular FormulaC18H15BrN2O2S
Molecular Weight403.30 g/mol
Exact Mass402.00
IUPAC NameN-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
SMILESCc1csc(-c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)n1
InChIInChI=1S/C18H15BrN2O2S/c1-12-11-24-18(20-12)13-2-8-16(9-3-13)23-10-17(22)21-15-6-4-14(19)5-7-15/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyAZXBXGUOPJMPSZ-UHFFFAOYSA-N
XLogP4.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123022
N-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123257
methyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate
CID 9123175
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
N-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123252
1-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one
CID 62040002
ethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate
CID 9123178
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 3986058
1-methoxy-3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]propan-2-one
CID 107508099
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-[(2S)-heptan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123769
2-(4-bromophenyl)-4-methyl-1,3-thiazole;ethane
CID 145337663

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide (CID 9123007) is N-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide is Cc1csc(-c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)n1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide?
The InChIKey is AZXBXGUOPJMPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2S/c1-12-11-24-18(20-12)13-2-8-16(9-3-13)23-10-17(22)21-15-6-4-14(19)5-7-15/h2-9,11H,10H2,1H3,(H,21,22).
What are the key properties of N-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide?
N-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide has a molecular weight of 403.30 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide is sourced from PubChem (CID 9123007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).