3,4,5-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide

C12H9F3N2OS — CID 63189301

IUPAC3,4,5-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncc(CNC(=O)c2cc(F)c(F)c(F)c2)s1
InChIInChI=1S/C12H9F3N2OS/c1-6-16-4-8(19-6)5-17-12(18)7-2-9(13)11(15)10(14)3-7/h2-4H,5H2,1H3,(H,17,18)
InChIKeyLUTQULUXNMRPHJ-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.80
Rot. Bonds3

About 3,4,5-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide

3,4,5-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 63189301) has the molecular formula C12H9F3N2OS and a molecular weight of 286.28 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID63189301
Molecular FormulaC12H9F3N2OS
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC Name3,4,5-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncc(CNC(=O)c2cc(F)c(F)c(F)c2)s1
InChIInChI=1S/C12H9F3N2OS/c1-6-16-4-8(19-6)5-17-12(18)7-2-9(13)11(15)10(14)3-7/h2-4H,5H2,1H3,(H,17,18)
InChIKeyLUTQULUXNMRPHJ-UHFFFAOYSA-N
XLogP2.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.80
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

4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855026
5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 61225336
3,4,5-trifluoro-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 113429009
6-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 66462161
N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 86835946
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86836166
2-chloro-6-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 62248382
2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855023
2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 86825704
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide
CID 39855027
3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 86835966
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 86836292

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 3,4,5-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (CID 63189301) is 3,4,5-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is Cc1ncc(CNC(=O)c2cc(F)c(F)c(F)c2)s1.
What is the InChIKey of 3,4,5-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is LUTQULUXNMRPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2OS/c1-6-16-4-8(19-6)5-17-12(18)7-2-9(13)11(15)10(14)3-7/h2-4H,5H2,1H3,(H,17,18).
What are the key properties of 3,4,5-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
3,4,5-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 286.28 g/mol, XLogP of 2.80, 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-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 63189301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).