2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide

C16H12BrN3OS — CID 27700220

IUPAC2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide
SMILESO=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1ccncc1
InChIInChI=1S/C16H12BrN3OS/c17-12-3-1-2-11(8-12)16-20-14(10-22-16)9-15(21)19-13-4-6-18-7-5-13/h1-8,10H,9H2,(H,18,19,21)
InChIKeyYBTXVLJTDPFUOT-UHFFFAOYSA-N
MW374.26 g/mol
LogP4.15
Rot. Bonds4

About 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide

2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide (PubChem CID 27700220) has the molecular formula C16H12BrN3OS and a molecular weight of 374.26 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide
PubChem CID27700220
Molecular FormulaC16H12BrN3OS
Molecular Weight374.26 g/mol
Exact Mass372.99
IUPAC Name2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide
SMILESO=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1ccncc1
InChIInChI=1S/C16H12BrN3OS/c17-12-3-1-2-11(8-12)16-20-14(10-22-16)9-15(21)19-13-4-6-18-7-5-13/h1-8,10H,9H2,(H,18,19,21)
InChIKeyYBTXVLJTDPFUOT-UHFFFAOYSA-N
XLogP4.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55537490
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 55812136
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
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 43029721
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-thiophen-2-ylphenyl)acetamide
CID 24568091
N-[1-(3-acetamidophenyl)ethyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide
CID 55581854
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide
CID 55513472
N-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752
N-(3-hydroxyphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 78783427
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 16560695
N-(2-amino-2-methylpropyl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119629857

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide (CID 27700220) is 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide is O=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1ccncc1.
What is the InChIKey of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide?
The InChIKey is YBTXVLJTDPFUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3OS/c17-12-3-1-2-11(8-12)16-20-14(10-22-16)9-15(21)19-13-4-6-18-7-5-13/h1-8,10H,9H2,(H,18,19,21).
What are the key properties of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide?
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide has a molecular weight of 374.26 g/mol, XLogP of 4.15, 4 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-pyridin-4-ylacetamide is sourced from PubChem (CID 27700220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).