2-(3-bromo-4-fluorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide

C19H16BrFN2O2S — CID 60523479

IUPAC2-(3-bromo-4-fluorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(C)cc1-c1csc(NC(=O)Cc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C19H16BrFN2O2S/c1-11-3-6-17(25-2)13(7-11)16-10-26-19(22-16)23-18(24)9-12-4-5-15(21)14(20)8-12/h3-8,10H,9H2,1-2H3,(H,22,23,24)
InChIKeyFBNHCTMBJBUXIO-UHFFFAOYSA-N
MW435.32 g/mol
LogP5.21
Rot. Bonds5

About 2-(3-bromo-4-fluorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide

2-(3-bromo-4-fluorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 60523479) has the molecular formula C19H16BrFN2O2S and a molecular weight of 435.32 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID60523479
Molecular FormulaC19H16BrFN2O2S
Molecular Weight435.32 g/mol
Exact Mass434.01
IUPAC Name2-(3-bromo-4-fluorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(C)cc1-c1csc(NC(=O)Cc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C19H16BrFN2O2S/c1-11-3-6-17(25-2)13(7-11)16-10-26-19(22-16)23-18(24)9-12-4-5-15(21)14(20)8-12/h3-8,10H,9H2,1-2H3,(H,22,23,24)
InChIKeyFBNHCTMBJBUXIO-UHFFFAOYSA-N
XLogP5.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.32
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 26723539
2-(2-fluorophenyl)sulfanyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 26723728
2-(3,4-dimethoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7831958
2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 24509607
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24555291
2-(2,4-dimethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 55723018
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8753140
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8839170
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 37010082
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 55388150

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide (CID 60523479) is 2-(3-bromo-4-fluorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc(C)cc1-c1csc(NC(=O)Cc2ccc(F)c(Br)c2)n1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is FBNHCTMBJBUXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrFN2O2S/c1-11-3-6-17(25-2)13(7-11)16-10-26-19(22-16)23-18(24)9-12-4-5-15(21)14(20)8-12/h3-8,10H,9H2,1-2H3,(H,22,23,24).
What are the key properties of 2-(3-bromo-4-fluorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(3-bromo-4-fluorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 435.32 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 2-(3-bromo-4-fluorophenyl)-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 60523479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).