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

C23H24BrN3O2S — CID 26973129

IUPAC2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1csc(-c2cccc(Br)c2)n1
InChIInChI=1S/C23H24BrN3O2S/c1-26(15-17-5-7-21(8-6-17)27-9-11-29-12-10-27)22(28)14-20-16-30-23(25-20)18-3-2-4-19(24)13-18/h2-8,13,16H,9-12,14-15H2,1H3
InChIKeyLQGBMCLGYHMUNH-UHFFFAOYSA-N
MW486.44 g/mol
LogP4.61
Rot. Bonds6

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

2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide (PubChem CID 26973129) has the molecular formula C23H24BrN3O2S and a molecular weight of 486.44 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
PubChem CID26973129
Molecular FormulaC23H24BrN3O2S
Molecular Weight486.44 g/mol
Exact Mass485.08
IUPAC Name2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1csc(-c2cccc(Br)c2)n1
InChIInChI=1S/C23H24BrN3O2S/c1-26(15-17-5-7-21(8-6-17)27-9-11-29-12-10-27)22(28)14-20-16-30-23(25-20)18-3-2-4-19(24)13-18/h2-8,13,16H,9-12,14-15H2,1H3
InChIKeyLQGBMCLGYHMUNH-UHFFFAOYSA-N
XLogP4.61
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.44
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 38041197
N-[4-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 134013147
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 25333543
N-(3-amino-2,2-dimethylpropyl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 119656281
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 46662344
methyl 2-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580499
1-(azocan-1-yl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanone
CID 55374619
N-methyl-N-[(4-phenylphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134054093
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 55812136
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 38041240
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-cyclopentyl-N-propan-2-ylacetamide
CID 56517769
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55601396

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide (CID 26973129) is 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1csc(-c2cccc(Br)c2)n1.
What is the InChIKey of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The InChIKey is LQGBMCLGYHMUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3O2S/c1-26(15-17-5-7-21(8-6-17)27-9-11-29-12-10-27)22(28)14-20-16-30-23(25-20)18-3-2-4-19(24)13-18/h2-8,13,16H,9-12,14-15H2,1H3.
What are the key properties of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide has a molecular weight of 486.44 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide is sourced from PubChem (CID 26973129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).