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

C21H20BrN3OS — CID 55812136

IUPAC2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C21H20BrN3OS/c22-16-6-3-5-15(11-16)21-24-18(14-27-21)13-20(26)23-17-7-4-8-19(12-17)25-9-1-2-10-25/h3-8,11-12,14H,1-2,9-10,13H2,(H,23,26)
InChIKeyFMMSFRWRNWGWMC-UHFFFAOYSA-N
MW442.38 g/mol
LogP5.35
Rot. Bonds5

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

2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 55812136) has the molecular formula C21H20BrN3OS and a molecular weight of 442.38 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
PubChem CID55812136
Molecular FormulaC21H20BrN3OS
Molecular Weight442.38 g/mol
Exact Mass441.05
IUPAC Name2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C21H20BrN3OS/c22-16-6-3-5-15(11-16)21-24-18(14-27-21)13-20(26)23-17-7-4-8-19(12-17)25-9-1-2-10-25/h3-8,11-12,14H,1-2,9-10,13H2,(H,23,26)
InChIKeyFMMSFRWRNWGWMC-UHFFFAOYSA-N
XLogP5.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.38
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide
CID 27700220
N-[3-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55537490
1-(azocan-1-yl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanone
CID 55374619
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 30267673
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 24684356
N-[4-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55814000
N-[1-(3-acetamidophenyl)ethyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide
CID 55581854
2-[2-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 39159621
N-(3-hydroxyphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 78783427
N-(3-morpholin-4-ylphenyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110426324
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 43029721
N-(3-bromophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 99192094

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide (CID 55812136) is 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide is O=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is FMMSFRWRNWGWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3OS/c22-16-6-3-5-15(11-16)21-24-18(14-27-21)13-20(26)23-17-7-4-8-19(12-17)25-9-1-2-10-25/h3-8,11-12,14H,1-2,9-10,13H2,(H,23,26).
What are the key properties of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide?
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 442.38 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 55812136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).