N-(5-bromo-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide

C11H6BrF3N2OS — CID 60654812

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1ncc(Br)s1)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H6BrF3N2OS/c12-8-5-16-10(19-8)17-9(18)6-3-1-2-4-7(6)11(13,14)15/h1-5H,(H,16,17,18)
InChIKeyDQTOMDQTIKOFOX-UHFFFAOYSA-N
MW351.15 g/mol
LogP4.18
Rot. Bonds2

About N-(5-bromo-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide

N-(5-bromo-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide (PubChem CID 60654812) has the molecular formula C11H6BrF3N2OS and a molecular weight of 351.15 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide
PubChem CID60654812
Molecular FormulaC11H6BrF3N2OS
Molecular Weight351.15 g/mol
Exact Mass349.93
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1ncc(Br)s1)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H6BrF3N2OS/c12-8-5-16-10(19-8)17-9(18)6-3-1-2-4-7(6)11(13,14)15/h1-5H,(H,16,17,18)
InChIKeyDQTOMDQTIKOFOX-UHFFFAOYSA-N
XLogP4.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.15
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide
CID 4813517
N-(5-bromo-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 60654750
N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-2-hydroxybenzamide
CID 53309399
N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
CID 81485699
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 26249519
2-amino-N-(5-amino-1,3-thiazol-2-yl)benzamide
CID 166871884
2-bromo-N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 107987897
N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)benzamide
CID 47066424
N-(5-bromo-1,3-thiazol-2-yl)furan-2-carboxamide
CID 60655632
N-(5-acetyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
CID 84591908
6-bromo-N-(5-bromo-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 66462491
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 4193750

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide (CID 60654812) is N-(5-bromo-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide is O=C(Nc1ncc(Br)s1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is DQTOMDQTIKOFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF3N2OS/c12-8-5-16-10(19-8)17-9(18)6-3-1-2-4-7(6)11(13,14)15/h1-5H,(H,16,17,18).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide?
N-(5-bromo-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 351.15 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 60654812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).