N-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C12H9BrF3N3OS — CID 119050971

IUPACN-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2ncc(C(F)(F)F)cc2Br)cs1
InChIInChI=1S/C12H9BrF3N3OS/c1-6-18-8(5-21-6)3-10(20)19-11-9(13)2-7(4-17-11)12(14,15)16/h2,4-5H,3H2,1H3,(H,17,19,20)
InChIKeyIODHFKHACGPLHK-UHFFFAOYSA-N
MW380.19 g/mol
LogP3.81
Rot. Bonds3

About N-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 119050971) has the molecular formula C12H9BrF3N3OS and a molecular weight of 380.19 g/mol. Its IUPAC name is N-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID119050971
Molecular FormulaC12H9BrF3N3OS
Molecular Weight380.19 g/mol
Exact Mass378.96
IUPAC NameN-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2ncc(C(F)(F)F)cc2Br)cs1
InChIInChI=1S/C12H9BrF3N3OS/c1-6-18-8(5-21-6)3-10(20)19-11-9(13)2-7(4-17-11)12(14,15)16/h2,4-5H,3H2,1H3,(H,17,19,20)
InChIKeyIODHFKHACGPLHK-UHFFFAOYSA-N
XLogP3.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.19
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-1,3-thiazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 30253728
5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796050
N-(2-methyl-4-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463240
N-(2,6-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463255
N-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 35595769
N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 71875396
2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38205069
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 112697373
2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782474
N-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110483632
N-(1-methylimidazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110473002
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 119050971) is N-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)Nc2ncc(C(F)(F)F)cc2Br)cs1.
What is the InChIKey of N-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is IODHFKHACGPLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF3N3OS/c1-6-18-8(5-21-6)3-10(20)19-11-9(13)2-7(4-17-11)12(14,15)16/h2,4-5H,3H2,1H3,(H,17,19,20).
What are the key properties of N-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 380.19 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 119050971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).