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

C12H8BrF3N2OS — CID 104579127

IUPAC2-bromo-N-(1,3-thiazol-5-ylmethyl)-5-(trifluoromethyl)benzamide
SMILESO=C(NCc1cncs1)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C12H8BrF3N2OS/c13-10-2-1-7(12(14,15)16)3-9(10)11(19)18-5-8-4-17-6-20-8/h1-4,6H,5H2,(H,18,19)
InChIKeyUWAPRCKRFIYOFF-UHFFFAOYSA-N
MW365.17 g/mol
LogP3.85
Rot. Bonds3

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

2-bromo-N-(1,3-thiazol-5-ylmethyl)-5-(trifluoromethyl)benzamide (PubChem CID 104579127) has the molecular formula C12H8BrF3N2OS and a molecular weight of 365.17 g/mol. Its IUPAC name is 2-bromo-N-(1,3-thiazol-5-ylmethyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(1,3-thiazol-5-ylmethyl)-5-(trifluoromethyl)benzamide
PubChem CID104579127
Molecular FormulaC12H8BrF3N2OS
Molecular Weight365.17 g/mol
Exact Mass363.95
IUPAC Name2-bromo-N-(1,3-thiazol-5-ylmethyl)-5-(trifluoromethyl)benzamide
SMILESO=C(NCc1cncs1)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C12H8BrF3N2OS/c13-10-2-1-7(12(14,15)16)3-9(10)11(19)18-5-8-4-17-6-20-8/h1-4,6H,5H2,(H,18,19)
InChIKeyUWAPRCKRFIYOFF-UHFFFAOYSA-N
XLogP3.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579091
2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide
CID 114194037
2-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)benzamide
CID 103819616
2-bromo-N-(2,2-dimethylbutyl)-5-(trifluoromethyl)benzamide
CID 103461931
N-[2-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110717526
2-bromo-5-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)benzamide
CID 83142426
4-fluoro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579063
4-bromo-2-methoxy-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 113429011
3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide
CID 104579431
5-bromo-N-(1,3-thiazol-5-ylmethyl)thiophene-2-carboxamide
CID 104579028
5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579077
2-bromo-N-[(1-ethylcyclopropyl)methyl]-5-(trifluoromethyl)benzamide
CID 103816659

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1,3-thiazol-5-ylmethyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-bromo-N-(1,3-thiazol-5-ylmethyl)-5-(trifluoromethyl)benzamide (CID 104579127) is 2-bromo-N-(1,3-thiazol-5-ylmethyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-bromo-N-(1,3-thiazol-5-ylmethyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-bromo-N-(1,3-thiazol-5-ylmethyl)-5-(trifluoromethyl)benzamide is O=C(NCc1cncs1)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 2-bromo-N-(1,3-thiazol-5-ylmethyl)-5-(trifluoromethyl)benzamide?
The InChIKey is UWAPRCKRFIYOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3N2OS/c13-10-2-1-7(12(14,15)16)3-9(10)11(19)18-5-8-4-17-6-20-8/h1-4,6H,5H2,(H,18,19).
What are the key properties of 2-bromo-N-(1,3-thiazol-5-ylmethyl)-5-(trifluoromethyl)benzamide?
2-bromo-N-(1,3-thiazol-5-ylmethyl)-5-(trifluoromethyl)benzamide has a molecular weight of 365.17 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1,3-thiazol-5-ylmethyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 104579127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).