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

C12H9F3N2OS — CID 63189346

IUPAC3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESCN(Cc1cscn1)C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H9F3N2OS/c1-17(4-8-5-19-6-16-8)12(18)7-2-9(13)11(15)10(14)3-7/h2-3,5-6H,4H2,1H3
InChIKeyLHZWTTFZGCGCRN-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.83
Rot. Bonds3

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

3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide (PubChem CID 63189346) has the molecular formula C12H9F3N2OS and a molecular weight of 286.28 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
PubChem CID63189346
Molecular FormulaC12H9F3N2OS
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC Name3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESCN(Cc1cscn1)C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H9F3N2OS/c1-17(4-8-5-19-6-16-8)12(18)7-2-9(13)11(15)10(14)3-7/h2-3,5-6H,4H2,1H3
InChIKeyLHZWTTFZGCGCRN-UHFFFAOYSA-N
XLogP2.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55163854
3-amino-4,5-dichloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55013795
2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
CID 62159832
3-amino-5-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 81089891
4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55013339
4-fluoro-2-hydroxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 103829866
3-hydroxy-4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 113434706
4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide
CID 47402715
2,5-difluoro-N-methyl-3-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107121992
2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 62729172
N-methyl-4-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
CID 62179582
2,2,3,3,3-pentafluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 114038182

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The IUPAC name of 3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide (CID 63189346) is 3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide is CN(Cc1cscn1)C(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The InChIKey is LHZWTTFZGCGCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2OS/c1-17(4-8-5-19-6-16-8)12(18)7-2-9(13)11(15)10(14)3-7/h2-3,5-6H,4H2,1H3.
What are the key properties of 3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide has a molecular weight of 286.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide is sourced from PubChem (CID 63189346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).