3,4,5-trifluoro-N-(1,3-thiazol-5-ylmethyl)benzamide

C11H7F3N2OS — CID 113429009

IUPAC3,4,5-trifluoro-N-(1,3-thiazol-5-ylmethyl)benzamide
SMILESO=C(NCc1cncs1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H7F3N2OS/c12-8-1-6(2-9(13)10(8)14)11(17)16-4-7-3-15-5-18-7/h1-3,5H,4H2,(H,16,17)
InChIKeyWRHHDVWQLLYRHT-UHFFFAOYSA-N
MW272.25 g/mol
LogP2.49
Rot. Bonds3

About 3,4,5-trifluoro-N-(1,3-thiazol-5-ylmethyl)benzamide

3,4,5-trifluoro-N-(1,3-thiazol-5-ylmethyl)benzamide (PubChem CID 113429009) has the molecular formula C11H7F3N2OS and a molecular weight of 272.25 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-(1,3-thiazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-(1,3-thiazol-5-ylmethyl)benzamide
PubChem CID113429009
Molecular FormulaC11H7F3N2OS
Molecular Weight272.25 g/mol
Exact Mass272.02
IUPAC Name3,4,5-trifluoro-N-(1,3-thiazol-5-ylmethyl)benzamide
SMILESO=C(NCc1cncs1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H7F3N2OS/c12-8-1-6(2-9(13)10(8)14)11(17)16-4-7-3-15-5-18-7/h1-3,5H,4H2,(H,16,17)
InChIKeyWRHHDVWQLLYRHT-UHFFFAOYSA-N
XLogP2.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,5-dihydroxy-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104583444
5-iodo-N-(1,3-thiazol-5-ylmethyl)thiophene-3-carboxamide
CID 104579050
3,4,5-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63189301
4-fluoro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579063
3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115735463
3,4,5-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 55167887
5-(1,3-thiazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 113429061
3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63186396
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471
5-chloro-2-iodo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579077
2-hydroxy-N-(1,3-thiazol-5-ylmethyl)acetamide
CID 130927920
3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide
CID 104579431

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-(1,3-thiazol-5-ylmethyl)benzamide?
The IUPAC name of 3,4,5-trifluoro-N-(1,3-thiazol-5-ylmethyl)benzamide (CID 113429009) is 3,4,5-trifluoro-N-(1,3-thiazol-5-ylmethyl)benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-(1,3-thiazol-5-ylmethyl)benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-(1,3-thiazol-5-ylmethyl)benzamide is O=C(NCc1cncs1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-(1,3-thiazol-5-ylmethyl)benzamide?
The InChIKey is WRHHDVWQLLYRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2OS/c12-8-1-6(2-9(13)10(8)14)11(17)16-4-7-3-15-5-18-7/h1-3,5H,4H2,(H,16,17).
What are the key properties of 3,4,5-trifluoro-N-(1,3-thiazol-5-ylmethyl)benzamide?
3,4,5-trifluoro-N-(1,3-thiazol-5-ylmethyl)benzamide has a molecular weight of 272.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-(1,3-thiazol-5-ylmethyl)benzamide is sourced from PubChem (CID 113429009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).